(4S)-N-(3-amino-3-oxopropyl)-2-oxo-3-(pyridin-3-ylmethyl)-1,3-oxazolidine-4-carboxamide

C13H16N4O4 — CID 50851590

IUPAC(4S)-N-(3-amino-3-oxopropyl)-2-oxo-3-(pyridin-3-ylmethyl)-1,3-oxazolidine-4-carboxamide
SMILESNC(=O)CCNC(=O)[C@@H]1COC(=O)N1Cc1cccnc1
InChIInChI=1S/C13H16N4O4/c14-11(18)3-5-16-12(19)10-8-21-13(20)17(10)7-9-2-1-4-15-6-9/h1-2,4,6,10H,3,5,7-8H2,(H2,14,18)(H,16,19)/t10-/m0/s1
InChIKeyMKWSQZPQPGHPCZ-JTQLQIEISA-N
MW292.30 g/mol
LogP-0.61
Rot. Bonds6

About (4S)-N-(3-amino-3-oxopropyl)-2-oxo-3-(pyridin-3-ylmethyl)-1,3-oxazolidine-4-carboxamide

(4S)-N-(3-amino-3-oxopropyl)-2-oxo-3-(pyridin-3-ylmethyl)-1,3-oxazolidine-4-carboxamide (PubChem CID 50851590) has the molecular formula C13H16N4O4 and a molecular weight of 292.30 g/mol. Its IUPAC name is (4S)-N-(3-amino-3-oxopropyl)-2-oxo-3-(pyridin-3-ylmethyl)-1,3-oxazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-(3-amino-3-oxopropyl)-2-oxo-3-(pyridin-3-ylmethyl)-1,3-oxazolidine-4-carboxamide
PubChem CID50851590
Molecular FormulaC13H16N4O4
Molecular Weight292.30 g/mol
Exact Mass292.12
IUPAC Name(4S)-N-(3-amino-3-oxopropyl)-2-oxo-3-(pyridin-3-ylmethyl)-1,3-oxazolidine-4-carboxamide
SMILESNC(=O)CCNC(=O)[C@@H]1COC(=O)N1Cc1cccnc1
InChIInChI=1S/C13H16N4O4/c14-11(18)3-5-16-12(19)10-8-21-13(20)17(10)7-9-2-1-4-15-6-9/h1-2,4,6,10H,3,5,7-8H2,(H2,14,18)(H,16,19)/t10-/m0/s1
InChIKeyMKWSQZPQPGHPCZ-JTQLQIEISA-N
XLogP-0.61
TPSA114.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 5-0.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(4S)-3-[(3,4-dimethoxyphenyl)methyl]-2-oxo-N-(2-pyridin-3-ylethyl)-1,3-oxazolidine-4-carboxamide
CID 50851650
(4S)-3-[(4-cyanophenyl)methyl]-2-oxo-N-(pyridin-3-ylmethyl)-1,3-oxazolidine-4-carboxamide
CID 50851423
(4S)-3-[(3-hydroxyphenyl)methyl]-2-oxo-N-(pyridin-4-ylmethyl)-1,3-oxazolidine-4-carboxamide
CID 50851294
(4S)-2-oxo-N-(2-phenylethyl)-3-(1,3-thiazol-2-ylmethyl)-1,3-oxazolidine-4-carboxamide
CID 50851924
(4S)-3-benzyl-N-methyl-2-oxo-1,3-oxazolidine-4-carboxamide
CID 50851402
(4S)-N-(2-aminoethyl)-2-oxo-3-(thiophen-2-ylmethyl)-1,3-oxazolidine-4-carboxamide
CID 50851192
methyl 3-[[(4S)-2-oxo-4-(pyridin-4-ylmethylcarbamoyl)-1,3-oxazolidin-3-yl]methyl]benzoate
CID 50851275
(4S)-3-[(4-methoxyphenyl)methyl]-2-oxo-N-(pyridin-4-ylmethyl)-1,3-oxazolidine-4-carboxamide
CID 50851251
(4S)-N-(2-methoxyethyl)-2-oxo-3-(pyridin-2-ylmethyl)-1,3-oxazolidine-4-carboxamide
CID 50851159
(4S)-3-[(3-methoxyphenyl)methyl]-2-oxo-N-(pyridin-2-ylmethyl)-1,3-oxazolidine-4-carboxamide
CID 50851331
(4S)-N-[(3-methoxyphenyl)methyl]-3-[(4-methoxyphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide
CID 50851281
4-[[(4S)-2-oxo-4-(pyridin-2-ylmethylcarbamoyl)-1,3-oxazolidin-3-yl]methyl]benzoic acid
CID 50851250

Frequently Asked Questions

What is the IUPAC name of (4S)-N-(3-amino-3-oxopropyl)-2-oxo-3-(pyridin-3-ylmethyl)-1,3-oxazolidine-4-carboxamide?
The IUPAC name of (4S)-N-(3-amino-3-oxopropyl)-2-oxo-3-(pyridin-3-ylmethyl)-1,3-oxazolidine-4-carboxamide (CID 50851590) is (4S)-N-(3-amino-3-oxopropyl)-2-oxo-3-(pyridin-3-ylmethyl)-1,3-oxazolidine-4-carboxamide.
What is the SMILES notation for (4S)-N-(3-amino-3-oxopropyl)-2-oxo-3-(pyridin-3-ylmethyl)-1,3-oxazolidine-4-carboxamide?
The canonical SMILES for (4S)-N-(3-amino-3-oxopropyl)-2-oxo-3-(pyridin-3-ylmethyl)-1,3-oxazolidine-4-carboxamide is NC(=O)CCNC(=O)[C@@H]1COC(=O)N1Cc1cccnc1.
What is the InChIKey of (4S)-N-(3-amino-3-oxopropyl)-2-oxo-3-(pyridin-3-ylmethyl)-1,3-oxazolidine-4-carboxamide?
The InChIKey is MKWSQZPQPGHPCZ-JTQLQIEISA-N. The full InChI is InChI=1S/C13H16N4O4/c14-11(18)3-5-16-12(19)10-8-21-13(20)17(10)7-9-2-1-4-15-6-9/h1-2,4,6,10H,3,5,7-8H2,(H2,14,18)(H,16,19)/t10-/m0/s1.
What are the key properties of (4S)-N-(3-amino-3-oxopropyl)-2-oxo-3-(pyridin-3-ylmethyl)-1,3-oxazolidine-4-carboxamide?
(4S)-N-(3-amino-3-oxopropyl)-2-oxo-3-(pyridin-3-ylmethyl)-1,3-oxazolidine-4-carboxamide has a molecular weight of 292.30 g/mol, XLogP of -0.61, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-(3-amino-3-oxopropyl)-2-oxo-3-(pyridin-3-ylmethyl)-1,3-oxazolidine-4-carboxamide is sourced from PubChem (CID 50851590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).