(2R)-2-amino-5-oxo-5-[[(2R)-1-oxopropan-2-yl]-phenylmethoxycarbonylamino]pentanoic acid

C16H20N2O6 — CID 18598820

IUPAC(2R)-2-amino-5-oxo-5-[[(2R)-1-oxopropan-2-yl]-phenylmethoxycarbonylamino]pentanoic acid
SMILESC[C@H](C=O)N(C(=O)CC[C@@H](N)C(=O)O)C(=O)OCc1ccccc1
InChIInChI=1S/C16H20N2O6/c1-11(9-19)18(14(20)8-7-13(17)15(21)22)16(23)24-10-12-5-3-2-4-6-12/h2-6,9,11,13H,7-8,10,17H2,1H3,(H,21,22)/t11-,13-/m1/s1
InChIKeySUOXASWNCGWQIB-DGCLKSJQSA-N
MW336.34 g/mol
LogP0.93
Rot. Bonds8

About (2R)-2-amino-5-oxo-5-[[(2R)-1-oxopropan-2-yl]-phenylmethoxycarbonylamino]pentanoic acid

(2R)-2-amino-5-oxo-5-[[(2R)-1-oxopropan-2-yl]-phenylmethoxycarbonylamino]pentanoic acid (PubChem CID 18598820) has the molecular formula C16H20N2O6 and a molecular weight of 336.34 g/mol. Its IUPAC name is (2R)-2-amino-5-oxo-5-[[(2R)-1-oxopropan-2-yl]-phenylmethoxycarbonylamino]pentanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-5-oxo-5-[[(2R)-1-oxopropan-2-yl]-phenylmethoxycarbonylamino]pentanoic acid
PubChem CID18598820
Molecular FormulaC16H20N2O6
Molecular Weight336.34 g/mol
Exact Mass336.13
IUPAC Name(2R)-2-amino-5-oxo-5-[[(2R)-1-oxopropan-2-yl]-phenylmethoxycarbonylamino]pentanoic acid
SMILESC[C@H](C=O)N(C(=O)CC[C@@H](N)C(=O)O)C(=O)OCc1ccccc1
InChIInChI=1S/C16H20N2O6/c1-11(9-19)18(14(20)8-7-13(17)15(21)22)16(23)24-10-12-5-3-2-4-6-12/h2-6,9,11,13H,7-8,10,17H2,1H3,(H,21,22)/t11-,13-/m1/s1
InChIKeySUOXASWNCGWQIB-DGCLKSJQSA-N
XLogP0.93
TPSA127.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.34
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

benzyl N-[(2S)-2-aminopropanoyl]-N-[(2S)-1-oxopropan-2-yl]carbamate
CID 22853810
2-[bis(phenylmethoxycarbonyl)amino]propanoic acid
CID 18466015
(3S)-3-[(2-amino-4-methylpentanoyl)-phenylmethoxycarbonylamino]-4-oxobutanoic acid
CID 57320491
(2S)-2-amino-5-[benzyl(methyl)amino]-5-oxopentanoic acid;hydrochloride
CID 166748454
(2S)-2-[3-aminopropanoyl(phenylmethoxycarbonyl)amino]-2-hydroxyacetic acid
CID 22820845
(2R)-2,5-diamino-6-oxo-6-phenylmethoxyhexanoic acid
CID 57323834
2-amino-5-(dibenzylamino)-5-oxopentanoic acid
CID 69304908
(2S)-2-[[(2S)-2-aminopropanoyl]-phenylmethoxycarbonylamino]-3-chloropropanoic acid
CID 70558855
2-[(2-amino-3-hydroxypropanoyl)-phenylmethoxycarbonylamino]-4-methylpentanoic acid
CID 70470056
2-[(2-amino-3-phenylpropanoyl)-phenylmethoxycarbonylamino]-4-methylpentanoic acid
CID 70369106
benzyl N-(4-chlorophenyl)-N-[(2S)-1-oxopropan-2-yl]carbamate
CID 54159732
(2S)-2,6-diamino-N-[(2S)-1-oxopropan-2-yl]-N-(4-phenylbutanoyl)hexanamide
CID 54279048

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-5-oxo-5-[[(2R)-1-oxopropan-2-yl]-phenylmethoxycarbonylamino]pentanoic acid?
The IUPAC name of (2R)-2-amino-5-oxo-5-[[(2R)-1-oxopropan-2-yl]-phenylmethoxycarbonylamino]pentanoic acid (CID 18598820) is (2R)-2-amino-5-oxo-5-[[(2R)-1-oxopropan-2-yl]-phenylmethoxycarbonylamino]pentanoic acid.
What is the SMILES notation for (2R)-2-amino-5-oxo-5-[[(2R)-1-oxopropan-2-yl]-phenylmethoxycarbonylamino]pentanoic acid?
The canonical SMILES for (2R)-2-amino-5-oxo-5-[[(2R)-1-oxopropan-2-yl]-phenylmethoxycarbonylamino]pentanoic acid is C[C@H](C=O)N(C(=O)CC[C@@H](N)C(=O)O)C(=O)OCc1ccccc1.
What is the InChIKey of (2R)-2-amino-5-oxo-5-[[(2R)-1-oxopropan-2-yl]-phenylmethoxycarbonylamino]pentanoic acid?
The InChIKey is SUOXASWNCGWQIB-DGCLKSJQSA-N. The full InChI is InChI=1S/C16H20N2O6/c1-11(9-19)18(14(20)8-7-13(17)15(21)22)16(23)24-10-12-5-3-2-4-6-12/h2-6,9,11,13H,7-8,10,17H2,1H3,(H,21,22)/t11-,13-/m1/s1.
What are the key properties of (2R)-2-amino-5-oxo-5-[[(2R)-1-oxopropan-2-yl]-phenylmethoxycarbonylamino]pentanoic acid?
(2R)-2-amino-5-oxo-5-[[(2R)-1-oxopropan-2-yl]-phenylmethoxycarbonylamino]pentanoic acid has a molecular weight of 336.34 g/mol, XLogP of 0.93, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-5-oxo-5-[[(2R)-1-oxopropan-2-yl]-phenylmethoxycarbonylamino]pentanoic acid is sourced from PubChem (CID 18598820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).