(4S)-5-amino-5-oxo-4-(phenylmethoxycarbonylamino)pentanoic acid

C13H16N2O5 — CID 6992292

IUPAC(4S)-5-amino-5-oxo-4-(phenylmethoxycarbonylamino)pentanoic acid
SMILESNC(=O)[C@H](CCC(=O)O)NC(=O)OCc1ccccc1
InChIInChI=1S/C13H16N2O5/c14-12(18)10(6-7-11(16)17)15-13(19)20-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H2,14,18)(H,15,19)(H,16,17)/t10-/m0/s1
InChIKeyNHFBOIIKTDKSRE-JTQLQIEISA-N
MW280.28 g/mol
LogP0.63
Rot. Bonds7

About (4S)-5-amino-5-oxo-4-(phenylmethoxycarbonylamino)pentanoic acid

(4S)-5-amino-5-oxo-4-(phenylmethoxycarbonylamino)pentanoic acid (PubChem CID 6992292) has the molecular formula C13H16N2O5 and a molecular weight of 280.28 g/mol. Its IUPAC name is (4S)-5-amino-5-oxo-4-(phenylmethoxycarbonylamino)pentanoic acid.

Molecular Properties

Compound Name(4S)-5-amino-5-oxo-4-(phenylmethoxycarbonylamino)pentanoic acid
PubChem CID6992292
Molecular FormulaC13H16N2O5
Molecular Weight280.28 g/mol
Exact Mass280.11
IUPAC Name(4S)-5-amino-5-oxo-4-(phenylmethoxycarbonylamino)pentanoic acid
SMILESNC(=O)[C@H](CCC(=O)O)NC(=O)OCc1ccccc1
InChIInChI=1S/C13H16N2O5/c14-12(18)10(6-7-11(16)17)15-13(19)20-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H2,14,18)(H,15,19)(H,16,17)/t10-/m0/s1
InChIKeyNHFBOIIKTDKSRE-JTQLQIEISA-N
XLogP0.63
TPSA118.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-(1,3-diamino-1-oxopropan-2-yl)carbamate
CID 130155607
benzyl N-[(2S)-1,6-diamino-1-oxohexan-2-yl]carbamate
CID 7020264
benzyl N-[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]carbamate;hydrochloride
CID 159595061
(4S)-5-oxo-5-(2-phenylethylamino)-4-(phenylmethoxycarbonylamino)pentanoic acid
CID 53360807
(2,2,2-trifluoroacetyl) 5-amino-5-oxo-4-(phenylmethoxycarbonylamino)pentanoate
CID 174413869
2,7-diamino-7-oxo-6-(phenylmethoxycarbonylamino)heptanoic acid
CID 11493537
sodium;(2S)-5-amino-5-oxo-2-(phenylmethoxycarbonylamino)pentanoic acid;hydride
CID 173433388
benzyl N-(1-amino-4-methyl-1-oxopentan-2-yl)carbamate
CID 5147892
(2S)-2-[[(2S)-4-methyl-2-[[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]pentanoyl]amino]pentanedioic acid
CID 102001257
2-(phenylmethoxycarbonylaminocarbamoylamino)pentanedioic acid
CID 78046840
(4S)-5-(4-methylanilino)-5-oxo-4-(phenylmethoxycarbonylamino)pentanoic acid
CID 10690521
benzyl N-[(2S)-1-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]carbamate
CID 177394473

Frequently Asked Questions

What is the IUPAC name of (4S)-5-amino-5-oxo-4-(phenylmethoxycarbonylamino)pentanoic acid?
The IUPAC name of (4S)-5-amino-5-oxo-4-(phenylmethoxycarbonylamino)pentanoic acid (CID 6992292) is (4S)-5-amino-5-oxo-4-(phenylmethoxycarbonylamino)pentanoic acid.
What is the SMILES notation for (4S)-5-amino-5-oxo-4-(phenylmethoxycarbonylamino)pentanoic acid?
The canonical SMILES for (4S)-5-amino-5-oxo-4-(phenylmethoxycarbonylamino)pentanoic acid is NC(=O)[C@H](CCC(=O)O)NC(=O)OCc1ccccc1.
What is the InChIKey of (4S)-5-amino-5-oxo-4-(phenylmethoxycarbonylamino)pentanoic acid?
The InChIKey is NHFBOIIKTDKSRE-JTQLQIEISA-N. The full InChI is InChI=1S/C13H16N2O5/c14-12(18)10(6-7-11(16)17)15-13(19)20-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H2,14,18)(H,15,19)(H,16,17)/t10-/m0/s1.
What are the key properties of (4S)-5-amino-5-oxo-4-(phenylmethoxycarbonylamino)pentanoic acid?
(4S)-5-amino-5-oxo-4-(phenylmethoxycarbonylamino)pentanoic acid has a molecular weight of 280.28 g/mol, XLogP of 0.63, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-5-amino-5-oxo-4-(phenylmethoxycarbonylamino)pentanoic acid is sourced from PubChem (CID 6992292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).