2-[(2S)-2-(3-methylpyridine-2-carbonyl)-5-oxopyrrolidin-1-yl]ethylcarbamic acid

C14H17N3O4 — CID 141439689

IUPAC2-[(2S)-2-(3-methylpyridine-2-carbonyl)-5-oxopyrrolidin-1-yl]ethylcarbamic acid
SMILESCc1cccnc1C(=O)[C@@H]1CCC(=O)N1CCNC(=O)O
InChIInChI=1S/C14H17N3O4/c1-9-3-2-6-15-12(9)13(19)10-4-5-11(18)17(10)8-7-16-14(20)21/h2-3,6,10,16H,4-5,7-8H2,1H3,(H,20,21)/t10-/m0/s1
InChIKeyMPFAKEHCUNWVKG-JTQLQIEISA-N
MW291.31 g/mol
LogP0.83
Rot. Bonds5

About 2-[(2S)-2-(3-methylpyridine-2-carbonyl)-5-oxopyrrolidin-1-yl]ethylcarbamic acid

2-[(2S)-2-(3-methylpyridine-2-carbonyl)-5-oxopyrrolidin-1-yl]ethylcarbamic acid (PubChem CID 141439689) has the molecular formula C14H17N3O4 and a molecular weight of 291.31 g/mol. Its IUPAC name is 2-[(2S)-2-(3-methylpyridine-2-carbonyl)-5-oxopyrrolidin-1-yl]ethylcarbamic acid.

Molecular Properties

Compound Name2-[(2S)-2-(3-methylpyridine-2-carbonyl)-5-oxopyrrolidin-1-yl]ethylcarbamic acid
PubChem CID141439689
Molecular FormulaC14H17N3O4
Molecular Weight291.31 g/mol
Exact Mass291.12
IUPAC Name2-[(2S)-2-(3-methylpyridine-2-carbonyl)-5-oxopyrrolidin-1-yl]ethylcarbamic acid
SMILESCc1cccnc1C(=O)[C@@H]1CCC(=O)N1CCNC(=O)O
InChIInChI=1S/C14H17N3O4/c1-9-3-2-6-15-12(9)13(19)10-4-5-11(18)17(10)8-7-16-14(20)21/h2-3,6,10,16H,4-5,7-8H2,1H3,(H,20,21)/t10-/m0/s1
InChIKeyMPFAKEHCUNWVKG-JTQLQIEISA-N
XLogP0.83
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-(3-methylpyridine-2-carbonyl)-5-oxopyrrolidin-1-yl]ethylcarbamic acid?
The IUPAC name of 2-[(2S)-2-(3-methylpyridine-2-carbonyl)-5-oxopyrrolidin-1-yl]ethylcarbamic acid (CID 141439689) is 2-[(2S)-2-(3-methylpyridine-2-carbonyl)-5-oxopyrrolidin-1-yl]ethylcarbamic acid.
What is the SMILES notation for 2-[(2S)-2-(3-methylpyridine-2-carbonyl)-5-oxopyrrolidin-1-yl]ethylcarbamic acid?
The canonical SMILES for 2-[(2S)-2-(3-methylpyridine-2-carbonyl)-5-oxopyrrolidin-1-yl]ethylcarbamic acid is Cc1cccnc1C(=O)[C@@H]1CCC(=O)N1CCNC(=O)O.
What is the InChIKey of 2-[(2S)-2-(3-methylpyridine-2-carbonyl)-5-oxopyrrolidin-1-yl]ethylcarbamic acid?
The InChIKey is MPFAKEHCUNWVKG-JTQLQIEISA-N. The full InChI is InChI=1S/C14H17N3O4/c1-9-3-2-6-15-12(9)13(19)10-4-5-11(18)17(10)8-7-16-14(20)21/h2-3,6,10,16H,4-5,7-8H2,1H3,(H,20,21)/t10-/m0/s1.
What are the key properties of 2-[(2S)-2-(3-methylpyridine-2-carbonyl)-5-oxopyrrolidin-1-yl]ethylcarbamic acid?
2-[(2S)-2-(3-methylpyridine-2-carbonyl)-5-oxopyrrolidin-1-yl]ethylcarbamic acid has a molecular weight of 291.31 g/mol, XLogP of 0.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-(3-methylpyridine-2-carbonyl)-5-oxopyrrolidin-1-yl]ethylcarbamic acid is sourced from PubChem (CID 141439689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).