bis(2-acetamido-3-phenylpropanoic acid);1-[(2R)-1,1-dimethoxy-4-methylpentan-2-yl]-2-[(2S)-1,1-dimethoxy-4-methylpentan-2-yl]hydrazine

C38H62N4O10 — CID 173494657

IUPACbis(2-acetamido-3-phenylpropanoic acid);1-[(2R)-1,1-dimethoxy-4-methylpentan-2-yl]-2-[(2S)-1,1-dimethoxy-4-methylpentan-2-yl]hydrazine
SMILESCC(=O)NC(Cc1ccccc1)C(=O)O.CC(=O)NC(Cc1ccccc1)C(=O)O.COC(OC)[C@H](CC(C)C)NN[C@H](CC(C)C)C(OC)OC
InChIInChI=1S/C16H36N2O4.2C11H13NO3/c1-11(2)9-13(15(19-5)20-6)17-18-14(10-12(3)4)16(21-7)22-8;2*1-8(13)12-10(11(14)15)7-9-5-3-2-4-6-9/h11-18H,9-10H2,1-8H3;2*2-6,10H,7H2,1H3,(H,12,13)(H,14,15)/t13-,14+;;
InChIKeyGJDDVQPDWFZMJJ-DUFSSLHGSA-N
MW734.93 g/mol
LogP3.78
Rot. Bonds21

About bis(2-acetamido-3-phenylpropanoic acid);1-[(2R)-1,1-dimethoxy-4-methylpentan-2-yl]-2-[(2S)-1,1-dimethoxy-4-methylpentan-2-yl]hydrazine

bis(2-acetamido-3-phenylpropanoic acid);1-[(2R)-1,1-dimethoxy-4-methylpentan-2-yl]-2-[(2S)-1,1-dimethoxy-4-methylpentan-2-yl]hydrazine (PubChem CID 173494657) has the molecular formula C38H62N4O10 and a molecular weight of 734.93 g/mol. Its IUPAC name is bis(2-acetamido-3-phenylpropanoic acid);1-[(2R)-1,1-dimethoxy-4-methylpentan-2-yl]-2-[(2S)-1,1-dimethoxy-4-methylpentan-2-yl]hydrazine.

Molecular Properties

Compound Namebis(2-acetamido-3-phenylpropanoic acid);1-[(2R)-1,1-dimethoxy-4-methylpentan-2-yl]-2-[(2S)-1,1-dimethoxy-4-methylpentan-2-yl]hydrazine
PubChem CID173494657
Molecular FormulaC38H62N4O10
Molecular Weight734.93 g/mol
Exact Mass734.45
IUPAC Namebis(2-acetamido-3-phenylpropanoic acid);1-[(2R)-1,1-dimethoxy-4-methylpentan-2-yl]-2-[(2S)-1,1-dimethoxy-4-methylpentan-2-yl]hydrazine
SMILESCC(=O)NC(Cc1ccccc1)C(=O)O.CC(=O)NC(Cc1ccccc1)C(=O)O.COC(OC)[C@H](CC(C)C)NN[C@H](CC(C)C)C(OC)OC
InChIInChI=1S/C16H36N2O4.2C11H13NO3/c1-11(2)9-13(15(19-5)20-6)17-18-14(10-12(3)4)16(21-7)22-8;2*1-8(13)12-10(11(14)15)7-9-5-3-2-4-6-9/h11-18H,9-10H2,1-8H3;2*2-6,10H,7H2,1H3,(H,12,13)(H,14,15)/t13-,14+;;
InChIKeyGJDDVQPDWFZMJJ-DUFSSLHGSA-N
XLogP3.78
TPSA193.78 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds21
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500734.93
LogP ≤ 53.78
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-acetamido-3-phenylpropanoic acid;(2R)-1,1-dimethoxy-4-methylpentan-2-amine
CID 173033400
2-acetamido-3-phenylpropanoic acid;(2R)-1,1-dimethoxy-4-phenylbutan-2-amine
CID 173033445
(2S)-2-[(2-acetamido-3-phenylpropanoyl)amino]-3-phenylpropanoic acid
CID 13265658
(2S)-2-[(1-methoxy-4-methylpentan-2-yl)amino]-3-phenylpropanoic acid
CID 122037606
(2S)-2-[[(2S)-2-[[(2R)-2-(methoxycarbonylamino)propanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoic acid
CID 54312155
N-(4-methyl-3-oxo-1-phenylpentan-2-yl)acetamide
CID 19002966
2-[(2-acetamido-3-phenylpropanoyl)amino]-4-methylpentanamide
CID 14703982
ethane;methyl 2-acetamido-3-phenylpropanoate;N-methylmethanamine
CID 91439308
2-(3-methylbutanethioylamino)-3-phenylpropanoic acid
CID 11459778
(2R)-2-acetamido-N-[(2R)-4-amino-3-oxo-1-phenylbutan-2-yl]-4-methylpentanamide
CID 101146922
bis(2-acetamido-3-phenylpropanoic acid);tetrakis(N,N-dimethylacetamide);ethane;methanamine;hexakis(methyl 2-acetamido-3-phenylpropanoate);bis(N-methylmethanamine)
CID 159994995
benzyl N-[(2S)-1-[(1,1-dimethoxy-4-methylpentan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]carbamate
CID 18659604

Frequently Asked Questions

What is the IUPAC name of bis(2-acetamido-3-phenylpropanoic acid);1-[(2R)-1,1-dimethoxy-4-methylpentan-2-yl]-2-[(2S)-1,1-dimethoxy-4-methylpentan-2-yl]hydrazine?
The IUPAC name of bis(2-acetamido-3-phenylpropanoic acid);1-[(2R)-1,1-dimethoxy-4-methylpentan-2-yl]-2-[(2S)-1,1-dimethoxy-4-methylpentan-2-yl]hydrazine (CID 173494657) is bis(2-acetamido-3-phenylpropanoic acid);1-[(2R)-1,1-dimethoxy-4-methylpentan-2-yl]-2-[(2S)-1,1-dimethoxy-4-methylpentan-2-yl]hydrazine.
What is the SMILES notation for bis(2-acetamido-3-phenylpropanoic acid);1-[(2R)-1,1-dimethoxy-4-methylpentan-2-yl]-2-[(2S)-1,1-dimethoxy-4-methylpentan-2-yl]hydrazine?
The canonical SMILES for bis(2-acetamido-3-phenylpropanoic acid);1-[(2R)-1,1-dimethoxy-4-methylpentan-2-yl]-2-[(2S)-1,1-dimethoxy-4-methylpentan-2-yl]hydrazine is CC(=O)NC(Cc1ccccc1)C(=O)O.CC(=O)NC(Cc1ccccc1)C(=O)O.COC(OC)[C@H](CC(C)C)NN[C@H](CC(C)C)C(OC)OC.
What is the InChIKey of bis(2-acetamido-3-phenylpropanoic acid);1-[(2R)-1,1-dimethoxy-4-methylpentan-2-yl]-2-[(2S)-1,1-dimethoxy-4-methylpentan-2-yl]hydrazine?
The InChIKey is GJDDVQPDWFZMJJ-DUFSSLHGSA-N. The full InChI is InChI=1S/C16H36N2O4.2C11H13NO3/c1-11(2)9-13(15(19-5)20-6)17-18-14(10-12(3)4)16(21-7)22-8;2*1-8(13)12-10(11(14)15)7-9-5-3-2-4-6-9/h11-18H,9-10H2,1-8H3;2*2-6,10H,7H2,1H3,(H,12,13)(H,14,15)/t13-,14+;;.
What are the key properties of bis(2-acetamido-3-phenylpropanoic acid);1-[(2R)-1,1-dimethoxy-4-methylpentan-2-yl]-2-[(2S)-1,1-dimethoxy-4-methylpentan-2-yl]hydrazine?
bis(2-acetamido-3-phenylpropanoic acid);1-[(2R)-1,1-dimethoxy-4-methylpentan-2-yl]-2-[(2S)-1,1-dimethoxy-4-methylpentan-2-yl]hydrazine has a molecular weight of 734.93 g/mol, XLogP of 3.78, 21 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-acetamido-3-phenylpropanoic acid);1-[(2R)-1,1-dimethoxy-4-methylpentan-2-yl]-2-[(2S)-1,1-dimethoxy-4-methylpentan-2-yl]hydrazine is sourced from PubChem (CID 173494657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).