(3R)-2-amino-3-hydroxy-N-[[(2S)-1-oxo-3-phenylpropan-2-yl]carbamoylcarbamoyl]butanamide

C15H20N4O5 — CID 118478029

IUPAC(3R)-2-amino-3-hydroxy-N-[[(2S)-1-oxo-3-phenylpropan-2-yl]carbamoylcarbamoyl]butanamide
SMILESC[C@@H](O)C(N)C(=O)NC(=O)NC(=O)N[C@H](C=O)Cc1ccccc1
InChIInChI=1S/C15H20N4O5/c1-9(21)12(16)13(22)18-15(24)19-14(23)17-11(8-20)7-10-5-3-2-4-6-10/h2-6,8-9,11-12,21H,7,16H2,1H3,(H3,17,18,19,22,23,24)/t9-,11+,12?/m1/s1
InChIKeyRTJBEMLKAGFUQA-BVAQLPTGSA-N
MW336.35 g/mol
LogP-0.96
Rot. Bonds6

About (3R)-2-amino-3-hydroxy-N-[[(2S)-1-oxo-3-phenylpropan-2-yl]carbamoylcarbamoyl]butanamide

(3R)-2-amino-3-hydroxy-N-[[(2S)-1-oxo-3-phenylpropan-2-yl]carbamoylcarbamoyl]butanamide (PubChem CID 118478029) has the molecular formula C15H20N4O5 and a molecular weight of 336.35 g/mol. Its IUPAC name is (3R)-2-amino-3-hydroxy-N-[[(2S)-1-oxo-3-phenylpropan-2-yl]carbamoylcarbamoyl]butanamide.

Molecular Properties

Compound Name(3R)-2-amino-3-hydroxy-N-[[(2S)-1-oxo-3-phenylpropan-2-yl]carbamoylcarbamoyl]butanamide
PubChem CID118478029
Molecular FormulaC15H20N4O5
Molecular Weight336.35 g/mol
Exact Mass336.14
IUPAC Name(3R)-2-amino-3-hydroxy-N-[[(2S)-1-oxo-3-phenylpropan-2-yl]carbamoylcarbamoyl]butanamide
SMILESC[C@@H](O)C(N)C(=O)NC(=O)NC(=O)N[C@H](C=O)Cc1ccccc1
InChIInChI=1S/C15H20N4O5/c1-9(21)12(16)13(22)18-15(24)19-14(23)17-11(8-20)7-10-5-3-2-4-6-10/h2-6,8-9,11-12,21H,7,16H2,1H3,(H3,17,18,19,22,23,24)/t9-,11+,12?/m1/s1
InChIKeyRTJBEMLKAGFUQA-BVAQLPTGSA-N
XLogP-0.96
TPSA150.62 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 5-0.96
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-(1-oxo-3-phenylpropan-2-yl)-3-phenylpropanamide;copper
CID 173080162
(2S,3R)-2-amino-3-hydroxy-N-(2-phenylacetyl)butanamide
CID 174682682
(3S)-3-amino-4-oxo-4-[[(2S)-1-oxo-3-phenylpropan-2-yl]amino]butanoic acid
CID 18607776
(2S)-2-amino-N-[2-oxo-2-[[(2S)-1-oxo-1-[[(2S)-1-oxo-3-phenylpropan-2-yl]amino]propan-2-yl]amino]ethyl]-3-phenylpropanamide
CID 175689376
benzyl N-[(2S)-2-amino-3-hydroxybutanoyl]carbamate
CID 67860655
benzyl N-(2-amino-3-hydroxybutanoyl)carbamate
CID 19774489
(2S)-2-amino-3-(4-hydroxyphenyl)-N-[(2S)-1-oxo-3-phenylpropan-2-yl]propanamide
CID 18658342
(2S)-2-amino-4-methylsulfanyl-N-[(2S)-1-oxo-3-phenylpropan-2-yl]butanamide
CID 173062166
bis(benzyl N-[(2S)-2-amino-3-hydroxybutanoyl]carbamate);hydrate
CID 70485700
[1-oxo-1-[(1-oxo-3-phenylpropan-2-yl)amino]-3-phenylpropan-2-yl]carbamic acid
CID 134556289
2-[[2-[(2-amino-3-hydroxybutanoyl)amino]-3-phenylpropanoyl]amino]butanedioic acid
CID 18224426
2-[[2-[[2-[(2-amino-3-hydroxybutanoyl)amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-3-phenylpropanoic acid
CID 19940370

Frequently Asked Questions

What is the IUPAC name of (3R)-2-amino-3-hydroxy-N-[[(2S)-1-oxo-3-phenylpropan-2-yl]carbamoylcarbamoyl]butanamide?
The IUPAC name of (3R)-2-amino-3-hydroxy-N-[[(2S)-1-oxo-3-phenylpropan-2-yl]carbamoylcarbamoyl]butanamide (CID 118478029) is (3R)-2-amino-3-hydroxy-N-[[(2S)-1-oxo-3-phenylpropan-2-yl]carbamoylcarbamoyl]butanamide.
What is the SMILES notation for (3R)-2-amino-3-hydroxy-N-[[(2S)-1-oxo-3-phenylpropan-2-yl]carbamoylcarbamoyl]butanamide?
The canonical SMILES for (3R)-2-amino-3-hydroxy-N-[[(2S)-1-oxo-3-phenylpropan-2-yl]carbamoylcarbamoyl]butanamide is C[C@@H](O)C(N)C(=O)NC(=O)NC(=O)N[C@H](C=O)Cc1ccccc1.
What is the InChIKey of (3R)-2-amino-3-hydroxy-N-[[(2S)-1-oxo-3-phenylpropan-2-yl]carbamoylcarbamoyl]butanamide?
The InChIKey is RTJBEMLKAGFUQA-BVAQLPTGSA-N. The full InChI is InChI=1S/C15H20N4O5/c1-9(21)12(16)13(22)18-15(24)19-14(23)17-11(8-20)7-10-5-3-2-4-6-10/h2-6,8-9,11-12,21H,7,16H2,1H3,(H3,17,18,19,22,23,24)/t9-,11+,12?/m1/s1.
What are the key properties of (3R)-2-amino-3-hydroxy-N-[[(2S)-1-oxo-3-phenylpropan-2-yl]carbamoylcarbamoyl]butanamide?
(3R)-2-amino-3-hydroxy-N-[[(2S)-1-oxo-3-phenylpropan-2-yl]carbamoylcarbamoyl]butanamide has a molecular weight of 336.35 g/mol, XLogP of -0.96, 6 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2-amino-3-hydroxy-N-[[(2S)-1-oxo-3-phenylpropan-2-yl]carbamoylcarbamoyl]butanamide is sourced from PubChem (CID 118478029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).