(2S)-2-[[[(2S)-2-aminopropanoyl]amino]carbamoylamino]-3-phenylpropanamide

C13H19N5O3 — CID 58917827

IUPAC(2S)-2-[[[(2S)-2-aminopropanoyl]amino]carbamoylamino]-3-phenylpropanamide
SMILESC[C@H](N)C(=O)NNC(=O)N[C@@H](Cc1ccccc1)C(N)=O
InChIInChI=1S/C13H19N5O3/c1-8(14)12(20)17-18-13(21)16-10(11(15)19)7-9-5-3-2-4-6-9/h2-6,8,10H,7,14H2,1H3,(H2,15,19)(H,17,20)(H2,16,18,21)/t8-,10-/m0/s1
InChIKeyUBYZNUUHUXMTRL-WPRPVWTQSA-N
MW293.33 g/mol
LogP-1.24
Rot. Bonds5

About (2S)-2-[[[(2S)-2-aminopropanoyl]amino]carbamoylamino]-3-phenylpropanamide

(2S)-2-[[[(2S)-2-aminopropanoyl]amino]carbamoylamino]-3-phenylpropanamide (PubChem CID 58917827) has the molecular formula C13H19N5O3 and a molecular weight of 293.33 g/mol. Its IUPAC name is (2S)-2-[[[(2S)-2-aminopropanoyl]amino]carbamoylamino]-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-[[[(2S)-2-aminopropanoyl]amino]carbamoylamino]-3-phenylpropanamide
PubChem CID58917827
Molecular FormulaC13H19N5O3
Molecular Weight293.33 g/mol
Exact Mass293.15
IUPAC Name(2S)-2-[[[(2S)-2-aminopropanoyl]amino]carbamoylamino]-3-phenylpropanamide
SMILESC[C@H](N)C(=O)NNC(=O)N[C@@H](Cc1ccccc1)C(N)=O
InChIInChI=1S/C13H19N5O3/c1-8(14)12(20)17-18-13(21)16-10(11(15)19)7-9-5-3-2-4-6-9/h2-6,8,10H,7,14H2,1H3,(H2,15,19)(H,17,20)(H2,16,18,21)/t8-,10-/m0/s1
InChIKeyUBYZNUUHUXMTRL-WPRPVWTQSA-N
XLogP-1.24
TPSA139.34 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 5-1.24
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[(2R)-2-aminopropanoyl]amino]-3-phenylpropanamide
CID 119306654
(2S)-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanamide
CID 11739138
(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-aminopropanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanamide
CID 10168344
2-amino-N-(1-amino-1-oxo-3-phenylpropan-2-yl)-3-phenylpropanamide
CID 3511221
2-[[(2S)-2-aminopropanoyl]amino]-3-phenylpropanoic acid
CID 68969553
2-(2-aminopropanoylamino)-3-phenylpropanoic acid
CID 2080
2-amino-N-(1-amino-1-oxo-3-phenylpropan-2-yl)butanamide
CID 5077890
2-amino-N-(1-amino-1-oxo-3-phenylpropan-2-yl)-3-methylpentanamide
CID 4599499
2-acetamido-3-phenylpropanamide;ethane
CID 144643683
2-[[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]carbamoyl]-3-methylbutanoic acid
CID 150044333
(2S,3S)-2-amino-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-3-methylpentanamide;hydrochloride
CID 118816009
2-[(2-acetamido-3-phenylpropanoyl)amino]-3-phenylpropanamide
CID 15923651

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[[(2S)-2-aminopropanoyl]amino]carbamoylamino]-3-phenylpropanamide?
The IUPAC name of (2S)-2-[[[(2S)-2-aminopropanoyl]amino]carbamoylamino]-3-phenylpropanamide (CID 58917827) is (2S)-2-[[[(2S)-2-aminopropanoyl]amino]carbamoylamino]-3-phenylpropanamide.
What is the SMILES notation for (2S)-2-[[[(2S)-2-aminopropanoyl]amino]carbamoylamino]-3-phenylpropanamide?
The canonical SMILES for (2S)-2-[[[(2S)-2-aminopropanoyl]amino]carbamoylamino]-3-phenylpropanamide is C[C@H](N)C(=O)NNC(=O)N[C@@H](Cc1ccccc1)C(N)=O.
What is the InChIKey of (2S)-2-[[[(2S)-2-aminopropanoyl]amino]carbamoylamino]-3-phenylpropanamide?
The InChIKey is UBYZNUUHUXMTRL-WPRPVWTQSA-N. The full InChI is InChI=1S/C13H19N5O3/c1-8(14)12(20)17-18-13(21)16-10(11(15)19)7-9-5-3-2-4-6-9/h2-6,8,10H,7,14H2,1H3,(H2,15,19)(H,17,20)(H2,16,18,21)/t8-,10-/m0/s1.
What are the key properties of (2S)-2-[[[(2S)-2-aminopropanoyl]amino]carbamoylamino]-3-phenylpropanamide?
(2S)-2-[[[(2S)-2-aminopropanoyl]amino]carbamoylamino]-3-phenylpropanamide has a molecular weight of 293.33 g/mol, XLogP of -1.24, 5 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[[(2S)-2-aminopropanoyl]amino]carbamoylamino]-3-phenylpropanamide is sourced from PubChem (CID 58917827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).