(2R)-N-[4-(aminomethyl)phenyl]pyrrolidine-2-carboxamide

C12H17N3O — CID 143190903

IUPAC(2R)-N-[4-(aminomethyl)phenyl]pyrrolidine-2-carboxamide
SMILESNCc1ccc(NC(=O)[C@H]2CCCN2)cc1
InChIInChI=1S/C12H17N3O/c13-8-9-3-5-10(6-4-9)15-12(16)11-2-1-7-14-11/h3-6,11,14H,1-2,7-8,13H2,(H,15,16)/t11-/m1/s1
InChIKeyGVGUEPNQPBIHHC-LLVKDONJSA-N
MW219.29 g/mol
LogP0.84
Rot. Bonds3

About (2R)-N-[4-(aminomethyl)phenyl]pyrrolidine-2-carboxamide

(2R)-N-[4-(aminomethyl)phenyl]pyrrolidine-2-carboxamide (PubChem CID 143190903) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is (2R)-N-[4-(aminomethyl)phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[4-(aminomethyl)phenyl]pyrrolidine-2-carboxamide
PubChem CID143190903
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name(2R)-N-[4-(aminomethyl)phenyl]pyrrolidine-2-carboxamide
SMILESNCc1ccc(NC(=O)[C@H]2CCCN2)cc1
InChIInChI=1S/C12H17N3O/c13-8-9-3-5-10(6-4-9)15-12(16)11-2-1-7-14-11/h3-6,11,14H,1-2,7-8,13H2,(H,15,16)/t11-/m1/s1
InChIKeyGVGUEPNQPBIHHC-LLVKDONJSA-N
XLogP0.84
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-aminophenyl)pyrrolidine-2-carboxamide
CID 22034800
(2R)-N-[4-(carbamoylamino)phenyl]pyrrolidine-2-carboxamide
CID 103794450
3-[4-(pyrrolidine-2-carbonylamino)phenyl]propanoic acid
CID 115339993
(2S)-N-(4-acetamidophenyl)pyrrolidine-2-carboxamide
CID 22691413
(2S)-N-(4-butylphenyl)pyrrolidine-2-carboxamide
CID 61156078
(2R)-N-(4-iodophenyl)pyrrolidine-2-carboxamide
CID 28881297
(2R)-N-(4-chlorophenyl)pyrrolidine-2-carboxamide
CID 7183288
N-[4-(acetamidomethyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119321333
N-[4-(ethoxymethyl)phenyl]pyrrolidine-2-carboxamide
CID 71987055
(2R)-N-[4-[2-(ethylamino)-2-oxoethyl]phenyl]pyrrolidine-2-carboxamide
CID 103795041
N-[4-(2-methylsulfanylethyl)phenyl]pyrrolidine-2-carboxamide
CID 119315477
ethyl N-[4-[[(2S)-pyrrolidine-2-carbonyl]amino]phenyl]carbamate
CID 61179472

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[4-(aminomethyl)phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-[4-(aminomethyl)phenyl]pyrrolidine-2-carboxamide (CID 143190903) is (2R)-N-[4-(aminomethyl)phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[4-(aminomethyl)phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-[4-(aminomethyl)phenyl]pyrrolidine-2-carboxamide is NCc1ccc(NC(=O)[C@H]2CCCN2)cc1.
What is the InChIKey of (2R)-N-[4-(aminomethyl)phenyl]pyrrolidine-2-carboxamide?
The InChIKey is GVGUEPNQPBIHHC-LLVKDONJSA-N. The full InChI is InChI=1S/C12H17N3O/c13-8-9-3-5-10(6-4-9)15-12(16)11-2-1-7-14-11/h3-6,11,14H,1-2,7-8,13H2,(H,15,16)/t11-/m1/s1.
What are the key properties of (2R)-N-[4-(aminomethyl)phenyl]pyrrolidine-2-carboxamide?
(2R)-N-[4-(aminomethyl)phenyl]pyrrolidine-2-carboxamide has a molecular weight of 219.29 g/mol, XLogP of 0.84, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[4-(aminomethyl)phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 143190903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).