[(3R)-1-(quinolin-2-ylmethyl)pyrrolidin-3-yl]carbamic acid

C15H17N3O2 — CID 154457782

IUPAC[(3R)-1-(quinolin-2-ylmethyl)pyrrolidin-3-yl]carbamic acid
SMILESO=C(O)N[C@@H]1CCN(Cc2ccc3ccccc3n2)C1
InChIInChI=1S/C15H17N3O2/c19-15(20)17-13-7-8-18(10-13)9-12-6-5-11-3-1-2-4-14(11)16-12/h1-6,13,17H,7-10H2,(H,19,20)/t13-/m1/s1
InChIKeyGZMBCTRGCRUONV-CYBMUJFWSA-N
MW271.32 g/mol
LogP2.08
Rot. Bonds3

About [(3R)-1-(quinolin-2-ylmethyl)pyrrolidin-3-yl]carbamic acid

[(3R)-1-(quinolin-2-ylmethyl)pyrrolidin-3-yl]carbamic acid (PubChem CID 154457782) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is [(3R)-1-(quinolin-2-ylmethyl)pyrrolidin-3-yl]carbamic acid.

Molecular Properties

Compound Name[(3R)-1-(quinolin-2-ylmethyl)pyrrolidin-3-yl]carbamic acid
PubChem CID154457782
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name[(3R)-1-(quinolin-2-ylmethyl)pyrrolidin-3-yl]carbamic acid
SMILESO=C(O)N[C@@H]1CCN(Cc2ccc3ccccc3n2)C1
InChIInChI=1S/C15H17N3O2/c19-15(20)17-13-7-8-18(10-13)9-12-6-5-11-3-1-2-4-14(11)16-12/h1-6,13,17H,7-10H2,(H,19,20)/t13-/m1/s1
InChIKeyGZMBCTRGCRUONV-CYBMUJFWSA-N
XLogP2.08
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,4S)-4-hydroxy-1-(quinolin-2-ylmethyl)piperidine-3-carboxylic acid
CID 164698384
(2R)-N-cyclopropyl-2-hydroxy-2-[1-(quinolin-2-ylmethyl)piperidin-4-yl]acetamide
CID 129489272
(3R)-1-(quinolin-2-ylmethyl)pyrrolidin-3-amine
CID 68962287
3-ethyl-1-(quinolin-2-ylmethyl)piperidin-4-ol
CID 114511029
2-cyclopentyl-2-hydroxy-2-phenyl-N-[1-(quinolin-2-ylmethyl)piperidin-4-yl]acetamide
CID 23289915
2-[(3-chloropiperidin-1-yl)methyl]quinoline
CID 63387139
N-cyclopropyl-1-[1-(quinolin-2-ylmethyl)piperidin-4-yl]piperidine-4-carboxamide
CID 42095769
(E)-N-hydroxy-3-[5-[[(3R)-1-(quinolin-2-ylmethyl)pyrrolidin-3-yl]amino]pyrazin-2-yl]prop-2-enamide;trihydrochloride
CID 140500519
N,1-dimethyl-4-(quinolin-2-ylmethyl)-1,4-diazepane-6-carboxamide
CID 155983258
[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]carbamic acid
CID 155341898
N-[(2S)-1-[[(3R)-1-benzylpyrrolidin-3-yl]amino]-4-methyl-1-oxopentan-2-yl]quinoline-2-carboxamide
CID 70082091
N-methyl-1-[1-(quinolin-2-ylmethyl)piperidin-3-yl]ethanamine
CID 63852699

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-(quinolin-2-ylmethyl)pyrrolidin-3-yl]carbamic acid?
The IUPAC name of [(3R)-1-(quinolin-2-ylmethyl)pyrrolidin-3-yl]carbamic acid (CID 154457782) is [(3R)-1-(quinolin-2-ylmethyl)pyrrolidin-3-yl]carbamic acid.
What is the SMILES notation for [(3R)-1-(quinolin-2-ylmethyl)pyrrolidin-3-yl]carbamic acid?
The canonical SMILES for [(3R)-1-(quinolin-2-ylmethyl)pyrrolidin-3-yl]carbamic acid is O=C(O)N[C@@H]1CCN(Cc2ccc3ccccc3n2)C1.
What is the InChIKey of [(3R)-1-(quinolin-2-ylmethyl)pyrrolidin-3-yl]carbamic acid?
The InChIKey is GZMBCTRGCRUONV-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H17N3O2/c19-15(20)17-13-7-8-18(10-13)9-12-6-5-11-3-1-2-4-14(11)16-12/h1-6,13,17H,7-10H2,(H,19,20)/t13-/m1/s1.
What are the key properties of [(3R)-1-(quinolin-2-ylmethyl)pyrrolidin-3-yl]carbamic acid?
[(3R)-1-(quinolin-2-ylmethyl)pyrrolidin-3-yl]carbamic acid has a molecular weight of 271.32 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-(quinolin-2-ylmethyl)pyrrolidin-3-yl]carbamic acid is sourced from PubChem (CID 154457782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).