2-[[(2R)-2-amino-3-phenylpropanoyl]-butan-2-ylamino]acetic acid

C15H22N2O3 — CID 78985735

IUPAC2-[[(2R)-2-amino-3-phenylpropanoyl]-butan-2-ylamino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(=O)[C@H](N)Cc1ccccc1
InChIInChI=1S/C15H22N2O3/c1-3-11(2)17(10-14(18)19)15(20)13(16)9-12-7-5-4-6-8-12/h4-8,11,13H,3,9-10,16H2,1-2H3,(H,18,19)/t11?,13-/m1/s1
InChIKeyFZCSADBWDFPQQT-GLGOKHISSA-N
MW278.35 g/mol
LogP1.27
Rot. Bonds7

About 2-[[(2R)-2-amino-3-phenylpropanoyl]-butan-2-ylamino]acetic acid

2-[[(2R)-2-amino-3-phenylpropanoyl]-butan-2-ylamino]acetic acid (PubChem CID 78985735) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-[[(2R)-2-amino-3-phenylpropanoyl]-butan-2-ylamino]acetic acid.

Molecular Properties

Compound Name2-[[(2R)-2-amino-3-phenylpropanoyl]-butan-2-ylamino]acetic acid
PubChem CID78985735
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2-[[(2R)-2-amino-3-phenylpropanoyl]-butan-2-ylamino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(=O)[C@H](N)Cc1ccccc1
InChIInChI=1S/C15H22N2O3/c1-3-11(2)17(10-14(18)19)15(20)13(16)9-12-7-5-4-6-8-12/h4-8,11,13H,3,9-10,16H2,1-2H3,(H,18,19)/t11?,13-/m1/s1
InChIKeyFZCSADBWDFPQQT-GLGOKHISSA-N
XLogP1.27
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-butan-2-ylamino]acetic acid
CID 61160929
(2R)-2-amino-N-butan-2-yl-N-(2-methoxyethyl)-3-phenylpropanamide
CID 78985515
2-[(2-amino-3-phenylpropanoyl)-(carboxymethyl)amino]-4-methylpentanoic acid
CID 118324918
ethyl 2-[[(2S)-2-amino-3-phenylpropanoyl]-propan-2-ylamino]acetate
CID 61158556
(2R)-2-amino-N-ethyl-N-(1-methoxypropan-2-yl)-3-phenylpropanamide
CID 78985414
(2S)-2-amino-N-ethyl-N-(1-methoxypropan-2-yl)-3-phenylpropanamide
CID 61163368
(2R)-2-amino-N-methyl-N-(4-methylpentan-2-yl)-3-phenylpropanamide
CID 78985610
2-[(2-amino-3-phenylpropanoyl)-(3-hydroxybutanoyl)amino]acetic acid
CID 175106250
(2S)-2-amino-N-(2-methoxyethyl)-N-pentan-3-yl-3-phenylpropanamide
CID 61163372
(2S)-2-amino-N-ethyl-N-methyl-3-phenylpropanamide;hydrochloride
CID 119314932
(2R)-2-amino-N-(3,3-dimethylbutan-2-yl)-N-methyl-3-phenylpropanamide
CID 78985588
2-amino-N-ethyl-N-(2-methylpropyl)-3-phenylpropanamide
CID 43273815

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-2-amino-3-phenylpropanoyl]-butan-2-ylamino]acetic acid?
The IUPAC name of 2-[[(2R)-2-amino-3-phenylpropanoyl]-butan-2-ylamino]acetic acid (CID 78985735) is 2-[[(2R)-2-amino-3-phenylpropanoyl]-butan-2-ylamino]acetic acid.
What is the SMILES notation for 2-[[(2R)-2-amino-3-phenylpropanoyl]-butan-2-ylamino]acetic acid?
The canonical SMILES for 2-[[(2R)-2-amino-3-phenylpropanoyl]-butan-2-ylamino]acetic acid is CCC(C)N(CC(=O)O)C(=O)[C@H](N)Cc1ccccc1.
What is the InChIKey of 2-[[(2R)-2-amino-3-phenylpropanoyl]-butan-2-ylamino]acetic acid?
The InChIKey is FZCSADBWDFPQQT-GLGOKHISSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-3-11(2)17(10-14(18)19)15(20)13(16)9-12-7-5-4-6-8-12/h4-8,11,13H,3,9-10,16H2,1-2H3,(H,18,19)/t11?,13-/m1/s1.
What are the key properties of 2-[[(2R)-2-amino-3-phenylpropanoyl]-butan-2-ylamino]acetic acid?
2-[[(2R)-2-amino-3-phenylpropanoyl]-butan-2-ylamino]acetic acid has a molecular weight of 278.35 g/mol, XLogP of 1.27, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-2-amino-3-phenylpropanoyl]-butan-2-ylamino]acetic acid is sourced from PubChem (CID 78985735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).