[1-[(1-hydrazinyl-3-methyl-1-oxobutan-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]carbamic acid

C15H22N4O4 — CID 122529674

IUPAC[1-[(1-hydrazinyl-3-methyl-1-oxobutan-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]carbamic acid
SMILESCC(C)C(NC(=O)C(Cc1ccccc1)NC(=O)O)C(=O)NN
InChIInChI=1S/C15H22N4O4/c1-9(2)12(14(21)19-16)18-13(20)11(17-15(22)23)8-10-6-4-3-5-7-10/h3-7,9,11-12,17H,8,16H2,1-2H3,(H,18,20)(H,19,21)(H,22,23)
InChIKeyOZGNCVJEOHNAJF-UHFFFAOYSA-N
MW322.37 g/mol
LogP-0.00
Rot. Bonds7

About [1-[(1-hydrazinyl-3-methyl-1-oxobutan-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]carbamic acid

[1-[(1-hydrazinyl-3-methyl-1-oxobutan-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]carbamic acid (PubChem CID 122529674) has the molecular formula C15H22N4O4 and a molecular weight of 322.37 g/mol. Its IUPAC name is [1-[(1-hydrazinyl-3-methyl-1-oxobutan-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]carbamic acid.

Molecular Properties

Compound Name[1-[(1-hydrazinyl-3-methyl-1-oxobutan-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]carbamic acid
PubChem CID122529674
Molecular FormulaC15H22N4O4
Molecular Weight322.37 g/mol
Exact Mass322.16
IUPAC Name[1-[(1-hydrazinyl-3-methyl-1-oxobutan-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]carbamic acid
SMILESCC(C)C(NC(=O)C(Cc1ccccc1)NC(=O)O)C(=O)NN
InChIInChI=1S/C15H22N4O4/c1-9(2)12(14(21)19-16)18-13(20)11(17-15(22)23)8-10-6-4-3-5-7-10/h3-7,9,11-12,17H,8,16H2,1-2H3,(H,18,20)(H,19,21)(H,22,23)
InChIKeyOZGNCVJEOHNAJF-UHFFFAOYSA-N
XLogP-0.00
TPSA133.55 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 5-0.00
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [1-[(1-hydrazinyl-3-methyl-1-oxobutan-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]carbamic acid with MolForge

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Launch Full Analysis

Related Compounds

(2R)-2-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-3-methylbutanoic acid
CID 102144078
N-[(2S)-1-hydrazinyl-1-oxo-3-phenylpropan-2-yl]acetamide
CID 2802422
2-[[2-[[2-[(2-aminoacetyl)amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-3-methylbutanoic acid
CID 18490127
2-[[2-[[2-[(2-aminoacetyl)amino]-3-phenylpropanoyl]amino]-3-methylbutanoyl]amino]propanoic acid
CID 18490225
benzyl N-[(2R)-1-[[(2R)-1-hydrazinyl-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 154094352
(2R)-2-[[(2R)-2-benzamido-3-phenylpropanoyl]amino]-3-methylbutanoic acid
CID 2282526
N-(1-hydrazinyl-1-oxo-3-phenylpropan-2-yl)propanamide
CID 4268964
2-[[2-[[2-[(2-aminoacetyl)amino]-3-phenylpropanoyl]amino]-3-methylbutanoyl]amino]acetic acid
CID 18490232
2-[[2-[[2-[(2-amino-3-hydroxypropanoyl)amino]-3-phenylpropanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxypropanoic acid
CID 18742696
ethyl N-(1-hydrazinyl-1-oxo-3-phenylpropan-2-yl)carbamate
CID 102520251
(2S)-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanamide
CID 11739138
(2R)-3-methyl-2-[[3-phenyl-2-[[(2R)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoyl]amino]butanoic acid
CID 21149114

Frequently Asked Questions

What is the IUPAC name of [1-[(1-hydrazinyl-3-methyl-1-oxobutan-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]carbamic acid?
The IUPAC name of [1-[(1-hydrazinyl-3-methyl-1-oxobutan-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]carbamic acid (CID 122529674) is [1-[(1-hydrazinyl-3-methyl-1-oxobutan-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]carbamic acid.
What is the SMILES notation for [1-[(1-hydrazinyl-3-methyl-1-oxobutan-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]carbamic acid?
The canonical SMILES for [1-[(1-hydrazinyl-3-methyl-1-oxobutan-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]carbamic acid is CC(C)C(NC(=O)C(Cc1ccccc1)NC(=O)O)C(=O)NN.
What is the InChIKey of [1-[(1-hydrazinyl-3-methyl-1-oxobutan-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]carbamic acid?
The InChIKey is OZGNCVJEOHNAJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O4/c1-9(2)12(14(21)19-16)18-13(20)11(17-15(22)23)8-10-6-4-3-5-7-10/h3-7,9,11-12,17H,8,16H2,1-2H3,(H,18,20)(H,19,21)(H,22,23).
What are the key properties of [1-[(1-hydrazinyl-3-methyl-1-oxobutan-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]carbamic acid?
[1-[(1-hydrazinyl-3-methyl-1-oxobutan-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]carbamic acid has a molecular weight of 322.37 g/mol, XLogP of -0.00, 7 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(1-hydrazinyl-3-methyl-1-oxobutan-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]carbamic acid is sourced from PubChem (CID 122529674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).