2-[(2-amino-2-oxoethyl)-(2-phenylbutanoyl)amino]acetic acid

C14H18N2O4 — CID 107434077

IUPAC2-[(2-amino-2-oxoethyl)-(2-phenylbutanoyl)amino]acetic acid
SMILESCCC(C(=O)N(CC(N)=O)CC(=O)O)c1ccccc1
InChIInChI=1S/C14H18N2O4/c1-2-11(10-6-4-3-5-7-10)14(20)16(8-12(15)17)9-13(18)19/h3-7,11H,2,8-9H2,1H3,(H2,15,17)(H,18,19)
InChIKeyFLASKWJKUCHNHH-UHFFFAOYSA-N
MW278.31 g/mol
LogP0.58
Rot. Bonds7

About 2-[(2-amino-2-oxoethyl)-(2-phenylbutanoyl)amino]acetic acid

2-[(2-amino-2-oxoethyl)-(2-phenylbutanoyl)amino]acetic acid (PubChem CID 107434077) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 2-[(2-amino-2-oxoethyl)-(2-phenylbutanoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2-amino-2-oxoethyl)-(2-phenylbutanoyl)amino]acetic acid
PubChem CID107434077
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name2-[(2-amino-2-oxoethyl)-(2-phenylbutanoyl)amino]acetic acid
SMILESCCC(C(=O)N(CC(N)=O)CC(=O)O)c1ccccc1
InChIInChI=1S/C14H18N2O4/c1-2-11(10-6-4-3-5-7-10)14(20)16(8-12(15)17)9-13(18)19/h3-7,11H,2,8-9H2,1H3,(H2,15,17)(H,18,19)
InChIKeyFLASKWJKUCHNHH-UHFFFAOYSA-N
XLogP0.58
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[benzyl(2-phenylbutanoyl)amino]acetic acid
CID 120606600
2-[(2-amino-2-oxoethyl)-(2-phenoxybutanoyl)amino]acetic acid
CID 107433913
N,N-bis(2-methylpropyl)-2-phenylbutanamide
CID 4080662
(2R)-2-phenylbutanamide
CID 139147476
3-amino-N,N-diethyl-2-phenylpropanamide
CID 62876932
ethyl 2-[2-phenylbutanoyl(propyl)amino]acetate
CID 61008627
2-[ethyl-[2-(4-methoxyphenyl)butanoyl]amino]acetic acid
CID 120686488
3-amino-N-(2-amino-2-oxoethyl)-N-methyl-2-phenylpropanamide
CID 62877301
N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-2-phenylbutanamide
CID 78789416
2-[ethyl(3-phenylpentanoyl)amino]acetic acid
CID 119206232
3-amino-N-(2-amino-2-oxoethyl)-2-phenyl-N-propan-2-ylpropanamide
CID 62877996
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-phenylbutanamide
CID 107482538

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-oxoethyl)-(2-phenylbutanoyl)amino]acetic acid?
The IUPAC name of 2-[(2-amino-2-oxoethyl)-(2-phenylbutanoyl)amino]acetic acid (CID 107434077) is 2-[(2-amino-2-oxoethyl)-(2-phenylbutanoyl)amino]acetic acid.
What is the SMILES notation for 2-[(2-amino-2-oxoethyl)-(2-phenylbutanoyl)amino]acetic acid?
The canonical SMILES for 2-[(2-amino-2-oxoethyl)-(2-phenylbutanoyl)amino]acetic acid is CCC(C(=O)N(CC(N)=O)CC(=O)O)c1ccccc1.
What is the InChIKey of 2-[(2-amino-2-oxoethyl)-(2-phenylbutanoyl)amino]acetic acid?
The InChIKey is FLASKWJKUCHNHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-2-11(10-6-4-3-5-7-10)14(20)16(8-12(15)17)9-13(18)19/h3-7,11H,2,8-9H2,1H3,(H2,15,17)(H,18,19).
What are the key properties of 2-[(2-amino-2-oxoethyl)-(2-phenylbutanoyl)amino]acetic acid?
2-[(2-amino-2-oxoethyl)-(2-phenylbutanoyl)amino]acetic acid has a molecular weight of 278.31 g/mol, XLogP of 0.58, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-oxoethyl)-(2-phenylbutanoyl)amino]acetic acid is sourced from PubChem (CID 107434077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).