(2S)-3-phenyl-2-[[(2S)-2-(phenylcarbamoylamino)propanoyl]amino]propanamide

C19H22N4O3 — CID 102092289

IUPAC(2S)-3-phenyl-2-[[(2S)-2-(phenylcarbamoylamino)propanoyl]amino]propanamide
SMILESC[C@H](NC(=O)Nc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
InChIInChI=1S/C19H22N4O3/c1-13(21-19(26)22-15-10-6-3-7-11-15)18(25)23-16(17(20)24)12-14-8-4-2-5-9-14/h2-11,13,16H,12H2,1H3,(H2,20,24)(H,23,25)(H2,21,22,26)/t13-,16-/m0/s1
InChIKeyUBGGCPQVGSPQPM-BBRMVZONSA-N
MW354.41 g/mol
LogP1.41
Rot. Bonds7

About (2S)-3-phenyl-2-[[(2S)-2-(phenylcarbamoylamino)propanoyl]amino]propanamide

(2S)-3-phenyl-2-[[(2S)-2-(phenylcarbamoylamino)propanoyl]amino]propanamide (PubChem CID 102092289) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is (2S)-3-phenyl-2-[[(2S)-2-(phenylcarbamoylamino)propanoyl]amino]propanamide.

Molecular Properties

Compound Name(2S)-3-phenyl-2-[[(2S)-2-(phenylcarbamoylamino)propanoyl]amino]propanamide
PubChem CID102092289
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Name(2S)-3-phenyl-2-[[(2S)-2-(phenylcarbamoylamino)propanoyl]amino]propanamide
SMILESC[C@H](NC(=O)Nc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
InChIInChI=1S/C19H22N4O3/c1-13(21-19(26)22-15-10-6-3-7-11-15)18(25)23-16(17(20)24)12-14-8-4-2-5-9-14/h2-11,13,16H,12H2,1H3,(H2,20,24)(H,23,25)(H2,21,22,26)/t13-,16-/m0/s1
InChIKeyUBGGCPQVGSPQPM-BBRMVZONSA-N
XLogP1.41
TPSA113.32 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 51.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-1-[[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]benzamide
CID 71442039
[2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] (2S)-2-(phenylcarbamoylamino)propanoate
CID 8887574
2-[[(2R)-2-aminopropanoyl]amino]-3-phenylpropanamide
CID 119306654
2-amino-N-(1-amino-1-oxo-3-phenylpropan-2-yl)-3-phenylpropanamide
CID 3511221
(2R)-3-phenyl-2-(phenylcarbamoylamino)propanoic acid
CID 676399
N-(2-aminoethyl)-2-(phenylcarbamoylamino)propanamide;hydrochloride
CID 119383618
2-[[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]carbamoyl]-3-methylbutanoic acid
CID 150044333
2-[(2-acetamido-3-phenylpropanoyl)amino]-3-phenylpropanamide
CID 15923651
N-(1-amino-1-oxo-3-phenylpropan-2-yl)-2,3-dimethylpentanamide
CID 71036532
2-amino-N-(1-amino-1-oxo-3-phenylpropan-2-yl)butanamide
CID 5077890
(2R)-2-[[(2R)-2-(naphthalen-1-ylcarbamoylamino)propanoyl]amino]-3-phenylpropanoic acid
CID 40571772
2-amino-N-(1-amino-1-oxo-3-phenylpropan-2-yl)-3-methylpentanamide
CID 4599499

Frequently Asked Questions

What is the IUPAC name of (2S)-3-phenyl-2-[[(2S)-2-(phenylcarbamoylamino)propanoyl]amino]propanamide?
The IUPAC name of (2S)-3-phenyl-2-[[(2S)-2-(phenylcarbamoylamino)propanoyl]amino]propanamide (CID 102092289) is (2S)-3-phenyl-2-[[(2S)-2-(phenylcarbamoylamino)propanoyl]amino]propanamide.
What is the SMILES notation for (2S)-3-phenyl-2-[[(2S)-2-(phenylcarbamoylamino)propanoyl]amino]propanamide?
The canonical SMILES for (2S)-3-phenyl-2-[[(2S)-2-(phenylcarbamoylamino)propanoyl]amino]propanamide is C[C@H](NC(=O)Nc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O.
What is the InChIKey of (2S)-3-phenyl-2-[[(2S)-2-(phenylcarbamoylamino)propanoyl]amino]propanamide?
The InChIKey is UBGGCPQVGSPQPM-BBRMVZONSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-13(21-19(26)22-15-10-6-3-7-11-15)18(25)23-16(17(20)24)12-14-8-4-2-5-9-14/h2-11,13,16H,12H2,1H3,(H2,20,24)(H,23,25)(H2,21,22,26)/t13-,16-/m0/s1.
What are the key properties of (2S)-3-phenyl-2-[[(2S)-2-(phenylcarbamoylamino)propanoyl]amino]propanamide?
(2S)-3-phenyl-2-[[(2S)-2-(phenylcarbamoylamino)propanoyl]amino]propanamide has a molecular weight of 354.41 g/mol, XLogP of 1.41, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-phenyl-2-[[(2S)-2-(phenylcarbamoylamino)propanoyl]amino]propanamide is sourced from PubChem (CID 102092289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).