(2S)-2-[(2-amino-5-methoxypentanoyl)amino]-2-phenylacetic acid

C14H20N2O4 — CID 103871010

IUPAC(2S)-2-[(2-amino-5-methoxypentanoyl)amino]-2-phenylacetic acid
SMILESCOCCCC(N)C(=O)N[C@H](C(=O)O)c1ccccc1
InChIInChI=1S/C14H20N2O4/c1-20-9-5-8-11(15)13(17)16-12(14(18)19)10-6-3-2-4-7-10/h2-4,6-7,11-12H,5,8-9,15H2,1H3,(H,16,17)(H,18,19)/t11?,12-/m0/s1
InChIKeyGPSOPMSXLGHVDY-KIYNQFGBSA-N
MW280.32 g/mol
LogP0.68
Rot. Bonds8

About (2S)-2-[(2-amino-5-methoxypentanoyl)amino]-2-phenylacetic acid

(2S)-2-[(2-amino-5-methoxypentanoyl)amino]-2-phenylacetic acid (PubChem CID 103871010) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is (2S)-2-[(2-amino-5-methoxypentanoyl)amino]-2-phenylacetic acid.

Molecular Properties

Compound Name(2S)-2-[(2-amino-5-methoxypentanoyl)amino]-2-phenylacetic acid
PubChem CID103871010
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name(2S)-2-[(2-amino-5-methoxypentanoyl)amino]-2-phenylacetic acid
SMILESCOCCCC(N)C(=O)N[C@H](C(=O)O)c1ccccc1
InChIInChI=1S/C14H20N2O4/c1-20-9-5-8-11(15)13(17)16-12(14(18)19)10-6-3-2-4-7-10/h2-4,6-7,11-12H,5,8-9,15H2,1H3,(H,16,17)(H,18,19)/t11?,12-/m0/s1
InChIKeyGPSOPMSXLGHVDY-KIYNQFGBSA-N
XLogP0.68
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-[[(2S)-2-aminopentanoyl]amino]-2-phenylacetic acid
CID 103871030
(2S)-2-[[(2R)-2-aminopentanoyl]amino]-2-phenylacetic acid
CID 113342407
(2S)-2-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-2-phenylacetic acid
CID 104898570
(2S)-2-(3-methoxypropanoylamino)-2-phenylacetic acid
CID 93310108
(3S)-3-amino-4-[[carboxy(phenyl)methyl]amino]-4-oxobutanoic acid
CID 139799489
2-amino-N-(2-amino-2-oxo-1-phenylethyl)-3-methoxypropanamide;hydrochloride
CID 120984398
methyl 2-(2-aminopentanoylamino)-2-phenylacetate
CID 62111189
2-amino-N-benzyl-5-methoxypentanamide
CID 81081027
2-[[2-(2-methoxyethoxy)acetyl]amino]-2-phenylacetic acid
CID 43171869
(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-2-phenylacetic acid
CID 169433659
2-[(2-methoxyacetyl)amino]-2-phenylacetic acid
CID 16776085
methyl (2S)-2-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-2-phenylacetate
CID 140999668

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-amino-5-methoxypentanoyl)amino]-2-phenylacetic acid?
The IUPAC name of (2S)-2-[(2-amino-5-methoxypentanoyl)amino]-2-phenylacetic acid (CID 103871010) is (2S)-2-[(2-amino-5-methoxypentanoyl)amino]-2-phenylacetic acid.
What is the SMILES notation for (2S)-2-[(2-amino-5-methoxypentanoyl)amino]-2-phenylacetic acid?
The canonical SMILES for (2S)-2-[(2-amino-5-methoxypentanoyl)amino]-2-phenylacetic acid is COCCCC(N)C(=O)N[C@H](C(=O)O)c1ccccc1.
What is the InChIKey of (2S)-2-[(2-amino-5-methoxypentanoyl)amino]-2-phenylacetic acid?
The InChIKey is GPSOPMSXLGHVDY-KIYNQFGBSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-20-9-5-8-11(15)13(17)16-12(14(18)19)10-6-3-2-4-7-10/h2-4,6-7,11-12H,5,8-9,15H2,1H3,(H,16,17)(H,18,19)/t11?,12-/m0/s1.
What are the key properties of (2S)-2-[(2-amino-5-methoxypentanoyl)amino]-2-phenylacetic acid?
(2S)-2-[(2-amino-5-methoxypentanoyl)amino]-2-phenylacetic acid has a molecular weight of 280.32 g/mol, XLogP of 0.68, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-amino-5-methoxypentanoyl)amino]-2-phenylacetic acid is sourced from PubChem (CID 103871010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).