(2R)-2-[(3-amino-3-phenylpropanoyl)amino]pentanoic acid

C14H20N2O3 — CID 103869978

IUPAC(2R)-2-[(3-amino-3-phenylpropanoyl)amino]pentanoic acid
SMILESCCC[C@@H](NC(=O)CC(N)c1ccccc1)C(=O)O
InChIInChI=1S/C14H20N2O3/c1-2-6-12(14(18)19)16-13(17)9-11(15)10-7-4-3-5-8-10/h3-5,7-8,11-12H,2,6,9,15H2,1H3,(H,16,17)(H,18,19)/t11?,12-/m1/s1
InChIKeyCIFXJCRLJUNWSH-PIJUOVFKSA-N
MW264.32 g/mol
LogP1.45
Rot. Bonds7

About (2R)-2-[(3-amino-3-phenylpropanoyl)amino]pentanoic acid

(2R)-2-[(3-amino-3-phenylpropanoyl)amino]pentanoic acid (PubChem CID 103869978) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is (2R)-2-[(3-amino-3-phenylpropanoyl)amino]pentanoic acid.

Molecular Properties

Compound Name(2R)-2-[(3-amino-3-phenylpropanoyl)amino]pentanoic acid
PubChem CID103869978
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name(2R)-2-[(3-amino-3-phenylpropanoyl)amino]pentanoic acid
SMILESCCC[C@@H](NC(=O)CC(N)c1ccccc1)C(=O)O
InChIInChI=1S/C14H20N2O3/c1-2-6-12(14(18)19)16-13(17)9-11(15)10-7-4-3-5-8-10/h3-5,7-8,11-12H,2,6,9,15H2,1H3,(H,16,17)(H,18,19)/t11?,12-/m1/s1
InChIKeyCIFXJCRLJUNWSH-PIJUOVFKSA-N
XLogP1.45
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-amino-4-phenylbutanoyl)amino]pentanoic acid
CID 63323773
2-[(3-amino-3-phenylpropanoyl)amino]-4-methoxybutanoic acid
CID 62478473
2-[(3-amino-3-phenylpropanoyl)amino]-5-methoxypentanoic acid
CID 81084032
3-amino-N-octan-4-yl-3-phenylpropanamide
CID 103823881
(2S)-2-[[(2S)-2-amino-2-phenylacetyl]amino]pentanoic acid
CID 103869746
(2R)-2-[[(3S)-3-benzamido-3-phenylpropanoyl]amino]pentanoic acid
CID 100650906
(2R)-2-[(3-amino-3-phenylpropanoyl)amino]-3-methylbutanoic acid
CID 79010019
2-[(3-amino-3-phenylpropanoyl)amino]-3-methylbutanoic acid
CID 61157521
methyl 2-[(3-amino-3-phenylpropanoyl)amino]-4-methylpentanoate
CID 43704276
methyl (2S)-2-[(3-amino-3-phenylpropanoyl)amino]propanoate
CID 43709430
3-amino-N-[(2R)-1-hydroxypropan-2-yl]-3-phenylpropanamide
CID 107218545
3-amino-N-(4-ethylsulfanylbutan-2-yl)-3-phenylpropanamide
CID 115748796

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3-amino-3-phenylpropanoyl)amino]pentanoic acid?
The IUPAC name of (2R)-2-[(3-amino-3-phenylpropanoyl)amino]pentanoic acid (CID 103869978) is (2R)-2-[(3-amino-3-phenylpropanoyl)amino]pentanoic acid.
What is the SMILES notation for (2R)-2-[(3-amino-3-phenylpropanoyl)amino]pentanoic acid?
The canonical SMILES for (2R)-2-[(3-amino-3-phenylpropanoyl)amino]pentanoic acid is CCC[C@@H](NC(=O)CC(N)c1ccccc1)C(=O)O.
What is the InChIKey of (2R)-2-[(3-amino-3-phenylpropanoyl)amino]pentanoic acid?
The InChIKey is CIFXJCRLJUNWSH-PIJUOVFKSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-2-6-12(14(18)19)16-13(17)9-11(15)10-7-4-3-5-8-10/h3-5,7-8,11-12H,2,6,9,15H2,1H3,(H,16,17)(H,18,19)/t11?,12-/m1/s1.
What are the key properties of (2R)-2-[(3-amino-3-phenylpropanoyl)amino]pentanoic acid?
(2R)-2-[(3-amino-3-phenylpropanoyl)amino]pentanoic acid has a molecular weight of 264.32 g/mol, XLogP of 1.45, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3-amino-3-phenylpropanoyl)amino]pentanoic acid is sourced from PubChem (CID 103869978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).