(3R,4R)-1-(5-carbamoylpyridine-2-carbonyl)-4-cyclopropylpyrrolidine-3-carboxylic acid

C15H17N3O4 — CID 120978262

IUPAC(3R,4R)-1-(5-carbamoylpyridine-2-carbonyl)-4-cyclopropylpyrrolidine-3-carboxylic acid
SMILESNC(=O)c1ccc(C(=O)N2C[C@H](C(=O)O)[C@@H](C3CC3)C2)nc1
InChIInChI=1S/C15H17N3O4/c16-13(19)9-3-4-12(17-5-9)14(20)18-6-10(8-1-2-8)11(7-18)15(21)22/h3-5,8,10-11H,1-2,6-7H2,(H2,16,19)(H,21,22)/t10-,11+/m1/s1
InChIKeyHJHQTDHLISAZIS-MNOVXSKESA-N
MW303.32 g/mol
LogP0.36
Rot. Bonds4

About (3R,4R)-1-(5-carbamoylpyridine-2-carbonyl)-4-cyclopropylpyrrolidine-3-carboxylic acid

(3R,4R)-1-(5-carbamoylpyridine-2-carbonyl)-4-cyclopropylpyrrolidine-3-carboxylic acid (PubChem CID 120978262) has the molecular formula C15H17N3O4 and a molecular weight of 303.32 g/mol. Its IUPAC name is (3R,4R)-1-(5-carbamoylpyridine-2-carbonyl)-4-cyclopropylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R,4R)-1-(5-carbamoylpyridine-2-carbonyl)-4-cyclopropylpyrrolidine-3-carboxylic acid
PubChem CID120978262
Molecular FormulaC15H17N3O4
Molecular Weight303.32 g/mol
Exact Mass303.12
IUPAC Name(3R,4R)-1-(5-carbamoylpyridine-2-carbonyl)-4-cyclopropylpyrrolidine-3-carboxylic acid
SMILESNC(=O)c1ccc(C(=O)N2C[C@H](C(=O)O)[C@@H](C3CC3)C2)nc1
InChIInChI=1S/C15H17N3O4/c16-13(19)9-3-4-12(17-5-9)14(20)18-6-10(8-1-2-8)11(7-18)15(21)22/h3-5,8,10-11H,1-2,6-7H2,(H2,16,19)(H,21,22)/t10-,11+/m1/s1
InChIKeyHJHQTDHLISAZIS-MNOVXSKESA-N
XLogP0.36
TPSA113.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R,4R)-1-(4-chlorobenzoyl)-4-cyclopropylpyrrolidine-3-carboxylic acid
CID 120979899
(3R,4R)-4-cyclopropyl-1-(1,2,5-thiadiazole-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 120980113
(3S,4S)-4-cyclopropyl-1-(4-sulfamoylbenzoyl)pyrrolidine-3-carboxylic acid
CID 72917762
6-(3,4-dimethylpyrrolidine-1-carbonyl)pyridine-3-carbothioamide
CID 79181657
(3S,4S)-4-cyclopropyl-1-(4-methylsulfonylbenzoyl)pyrrolidine-3-carboxylic acid
CID 72908820
(3R,4R)-4-cyclopropyl-1-[4-(cyclopropylmethoxy)benzoyl]pyrrolidine-3-carboxylic acid
CID 120979260
6-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]pyridine-3-carboxamide
CID 146088221
1-(5-carbamoylpyridine-2-carbonyl)piperidine-2-carboxylic acid
CID 119137717
(2S,3aR,7aS)-1-(5-carbamoylpyridine-2-carbonyl)-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 125130237
(3R,4R)-4-cyclopropyl-1-(3,4-diethoxybenzoyl)pyrrolidine-3-carboxylic acid
CID 120978222
(3R,4R)-4-cyclopropyl-1-(4-fluoro-3-methylbenzoyl)pyrrolidine-3-carboxylic acid
CID 120978167
(3R,4R)-4-cyclopropyl-1-[4-[(2-methylpropan-2-yl)oxy]benzoyl]pyrrolidine-3-carboxylic acid
CID 120979181

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-(5-carbamoylpyridine-2-carbonyl)-4-cyclopropylpyrrolidine-3-carboxylic acid?
The IUPAC name of (3R,4R)-1-(5-carbamoylpyridine-2-carbonyl)-4-cyclopropylpyrrolidine-3-carboxylic acid (CID 120978262) is (3R,4R)-1-(5-carbamoylpyridine-2-carbonyl)-4-cyclopropylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3R,4R)-1-(5-carbamoylpyridine-2-carbonyl)-4-cyclopropylpyrrolidine-3-carboxylic acid?
The canonical SMILES for (3R,4R)-1-(5-carbamoylpyridine-2-carbonyl)-4-cyclopropylpyrrolidine-3-carboxylic acid is NC(=O)c1ccc(C(=O)N2C[C@H](C(=O)O)[C@@H](C3CC3)C2)nc1.
What is the InChIKey of (3R,4R)-1-(5-carbamoylpyridine-2-carbonyl)-4-cyclopropylpyrrolidine-3-carboxylic acid?
The InChIKey is HJHQTDHLISAZIS-MNOVXSKESA-N. The full InChI is InChI=1S/C15H17N3O4/c16-13(19)9-3-4-12(17-5-9)14(20)18-6-10(8-1-2-8)11(7-18)15(21)22/h3-5,8,10-11H,1-2,6-7H2,(H2,16,19)(H,21,22)/t10-,11+/m1/s1.
What are the key properties of (3R,4R)-1-(5-carbamoylpyridine-2-carbonyl)-4-cyclopropylpyrrolidine-3-carboxylic acid?
(3R,4R)-1-(5-carbamoylpyridine-2-carbonyl)-4-cyclopropylpyrrolidine-3-carboxylic acid has a molecular weight of 303.32 g/mol, XLogP of 0.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-(5-carbamoylpyridine-2-carbonyl)-4-cyclopropylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 120978262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).