(2R)-2-[[(4S)-4-amino-5-(benzylamino)-5-oxopentanoyl]amino]propanoic acid

C15H21N3O4 — CID 11381255

IUPAC(2R)-2-[[(4S)-4-amino-5-(benzylamino)-5-oxopentanoyl]amino]propanoic acid
SMILESC[C@@H](NC(=O)CC[C@H](N)C(=O)NCc1ccccc1)C(=O)O
InChIInChI=1S/C15H21N3O4/c1-10(15(21)22)18-13(19)8-7-12(16)14(20)17-9-11-5-3-2-4-6-11/h2-6,10,12H,7-9,16H2,1H3,(H,17,20)(H,18,19)(H,21,22)/t10-,12+/m1/s1
InChIKeyAIEKKZWHBUOSLH-PWSUYJOCSA-N
MW307.35 g/mol
LogP-0.00
Rot. Bonds8

About (2R)-2-[[(4S)-4-amino-5-(benzylamino)-5-oxopentanoyl]amino]propanoic acid

(2R)-2-[[(4S)-4-amino-5-(benzylamino)-5-oxopentanoyl]amino]propanoic acid (PubChem CID 11381255) has the molecular formula C15H21N3O4 and a molecular weight of 307.35 g/mol. Its IUPAC name is (2R)-2-[[(4S)-4-amino-5-(benzylamino)-5-oxopentanoyl]amino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[[(4S)-4-amino-5-(benzylamino)-5-oxopentanoyl]amino]propanoic acid
PubChem CID11381255
Molecular FormulaC15H21N3O4
Molecular Weight307.35 g/mol
Exact Mass307.15
IUPAC Name(2R)-2-[[(4S)-4-amino-5-(benzylamino)-5-oxopentanoyl]amino]propanoic acid
SMILESC[C@@H](NC(=O)CC[C@H](N)C(=O)NCc1ccccc1)C(=O)O
InChIInChI=1S/C15H21N3O4/c1-10(15(21)22)18-13(19)8-7-12(16)14(20)17-9-11-5-3-2-4-6-11/h2-6,10,12H,7-9,16H2,1H3,(H,17,20)(H,18,19)(H,21,22)/t10-,12+/m1/s1
InChIKeyAIEKKZWHBUOSLH-PWSUYJOCSA-N
XLogP-0.00
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 5-0.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze (2R)-2-[[(4S)-4-amino-5-(benzylamino)-5-oxopentanoyl]amino]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-5-(benzylamino)-5-oxopentanoic acid
CID 64895002
(2R)-2,5-diamino-6-(benzylamino)-6-oxohexanoic acid
CID 91436913
3-amino-N-[1-(benzylamino)-1-oxopropan-2-yl]butanamide
CID 119750989
2-amino-N-benzylpentanamide
CID 11020044
(2R)-2-[(2-amino-4-phenylbutanoyl)amino]propanoic acid
CID 104984248
4-amino-5-[[1-[[2-(1-carboxyethylamino)-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-5-oxopentanoic acid
CID 22697921
2-[(2-aminoacetyl)amino]-N-benzylpropanamide
CID 119304547
7-amino-N-[1-(benzylamino)-1-oxopropan-2-yl]heptanamide
CID 119750951
tert-butyl 4-amino-5-(benzylamino)-5-oxopentanoate
CID 67334815
(2S)-2-[[2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]acetyl]amino]propanoic acid
CID 25062155
(2S)-2-[[(3S)-3-amino-4-oxo-4-[[4-(trifluoromethyl)phenyl]methylamino]butanoyl]amino]propanoic acid
CID 11394327
(2S)-2-[[(2S)-2-amino-6-(3-phenylpropanoylamino)hexanoyl]amino]propanoic acid
CID 11233376

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(4S)-4-amino-5-(benzylamino)-5-oxopentanoyl]amino]propanoic acid?
The IUPAC name of (2R)-2-[[(4S)-4-amino-5-(benzylamino)-5-oxopentanoyl]amino]propanoic acid (CID 11381255) is (2R)-2-[[(4S)-4-amino-5-(benzylamino)-5-oxopentanoyl]amino]propanoic acid.
What is the SMILES notation for (2R)-2-[[(4S)-4-amino-5-(benzylamino)-5-oxopentanoyl]amino]propanoic acid?
The canonical SMILES for (2R)-2-[[(4S)-4-amino-5-(benzylamino)-5-oxopentanoyl]amino]propanoic acid is C[C@@H](NC(=O)CC[C@H](N)C(=O)NCc1ccccc1)C(=O)O.
What is the InChIKey of (2R)-2-[[(4S)-4-amino-5-(benzylamino)-5-oxopentanoyl]amino]propanoic acid?
The InChIKey is AIEKKZWHBUOSLH-PWSUYJOCSA-N. The full InChI is InChI=1S/C15H21N3O4/c1-10(15(21)22)18-13(19)8-7-12(16)14(20)17-9-11-5-3-2-4-6-11/h2-6,10,12H,7-9,16H2,1H3,(H,17,20)(H,18,19)(H,21,22)/t10-,12+/m1/s1.
What are the key properties of (2R)-2-[[(4S)-4-amino-5-(benzylamino)-5-oxopentanoyl]amino]propanoic acid?
(2R)-2-[[(4S)-4-amino-5-(benzylamino)-5-oxopentanoyl]amino]propanoic acid has a molecular weight of 307.35 g/mol, XLogP of -0.00, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(4S)-4-amino-5-(benzylamino)-5-oxopentanoyl]amino]propanoic acid is sourced from PubChem (CID 11381255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).