(2R)-2-[[(2S)-2-amino-4-phenylbutanoyl]amino]pentanoic acid

C15H22N2O3 — CID 107565009

IUPAC(2R)-2-[[(2S)-2-amino-4-phenylbutanoyl]amino]pentanoic acid
SMILESCCC[C@@H](NC(=O)[C@@H](N)CCc1ccccc1)C(=O)O
InChIInChI=1S/C15H22N2O3/c1-2-6-13(15(19)20)17-14(18)12(16)10-9-11-7-4-3-5-8-11/h3-5,7-8,12-13H,2,6,9-10,16H2,1H3,(H,17,18)(H,19,20)/t12-,13+/m0/s1
InChIKeyTVMYDFUVIGBYTR-QWHCGFSZSA-N
MW278.35 g/mol
LogP1.32
Rot. Bonds8

About (2R)-2-[[(2S)-2-amino-4-phenylbutanoyl]amino]pentanoic acid

(2R)-2-[[(2S)-2-amino-4-phenylbutanoyl]amino]pentanoic acid (PubChem CID 107565009) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is (2R)-2-[[(2S)-2-amino-4-phenylbutanoyl]amino]pentanoic acid.

Molecular Properties

Compound Name(2R)-2-[[(2S)-2-amino-4-phenylbutanoyl]amino]pentanoic acid
PubChem CID107565009
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name(2R)-2-[[(2S)-2-amino-4-phenylbutanoyl]amino]pentanoic acid
SMILESCCC[C@@H](NC(=O)[C@@H](N)CCc1ccccc1)C(=O)O
InChIInChI=1S/C15H22N2O3/c1-2-6-13(15(19)20)17-14(18)12(16)10-9-11-7-4-3-5-8-11/h3-5,7-8,12-13H,2,6,9-10,16H2,1H3,(H,17,18)(H,19,20)/t12-,13+/m0/s1
InChIKeyTVMYDFUVIGBYTR-QWHCGFSZSA-N
XLogP1.32
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(2-amino-3-phenylpropanoyl)amino]pentanoic acid
CID 103869775
(2R)-2-[(2-amino-4-phenylbutanoyl)amino]-4-hydroxybutanoic acid
CID 107825099
(2R)-2-(2-aminopentanoylamino)-3-phenylpropanoic acid
CID 103869019
(2R)-2-[[(2S)-2-amino-4-phenylbutanoyl]amino]-3-hydroxypropanoic acid
CID 104984630
3-[(2-amino-4-phenylbutanoyl)amino]hexanoic acid
CID 114929257
3-[[(2S)-2-amino-4-phenylbutanoyl]amino]hexanoic acid
CID 104984718
(2S)-2-[[(2R)-2-amino-4-methylpentanoyl]amino]-4-phenylbutanoic acid
CID 104983349
(2R)-2-[(2-amino-4-phenylbutanoyl)amino]propanoic acid
CID 104984248
(2S)-2-[2-(aminomethyl)pentanoylamino]-4-phenylbutanoic acid
CID 104983409
2-amino-4-phenyl-N-propan-2-ylbutanamide
CID 114924577
(2S)-2-[[(2S)-2-amino-2-phenylacetyl]amino]pentanoic acid
CID 103869746
methyl (2S)-2-[[(2R)-2-amino-4-phenylbutanoyl]amino]-3-phenylpropanoate
CID 10807081

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(2S)-2-amino-4-phenylbutanoyl]amino]pentanoic acid?
The IUPAC name of (2R)-2-[[(2S)-2-amino-4-phenylbutanoyl]amino]pentanoic acid (CID 107565009) is (2R)-2-[[(2S)-2-amino-4-phenylbutanoyl]amino]pentanoic acid.
What is the SMILES notation for (2R)-2-[[(2S)-2-amino-4-phenylbutanoyl]amino]pentanoic acid?
The canonical SMILES for (2R)-2-[[(2S)-2-amino-4-phenylbutanoyl]amino]pentanoic acid is CCC[C@@H](NC(=O)[C@@H](N)CCc1ccccc1)C(=O)O.
What is the InChIKey of (2R)-2-[[(2S)-2-amino-4-phenylbutanoyl]amino]pentanoic acid?
The InChIKey is TVMYDFUVIGBYTR-QWHCGFSZSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-2-6-13(15(19)20)17-14(18)12(16)10-9-11-7-4-3-5-8-11/h3-5,7-8,12-13H,2,6,9-10,16H2,1H3,(H,17,18)(H,19,20)/t12-,13+/m0/s1.
What are the key properties of (2R)-2-[[(2S)-2-amino-4-phenylbutanoyl]amino]pentanoic acid?
(2R)-2-[[(2S)-2-amino-4-phenylbutanoyl]amino]pentanoic acid has a molecular weight of 278.35 g/mol, XLogP of 1.32, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(2S)-2-amino-4-phenylbutanoyl]amino]pentanoic acid is sourced from PubChem (CID 107565009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).