2-[[(2S)-1-benzylpyrrolidine-2-carbonyl]-ethylamino]acetic acid

C16H22N2O3 — CID 124683732

IUPAC2-[[(2S)-1-benzylpyrrolidine-2-carbonyl]-ethylamino]acetic acid
SMILESCCN(CC(=O)O)C(=O)[C@@H]1CCCN1Cc1ccccc1
InChIInChI=1S/C16H22N2O3/c1-2-17(12-15(19)20)16(21)14-9-6-10-18(14)11-13-7-4-3-5-8-13/h3-5,7-8,14H,2,6,9-12H2,1H3,(H,19,20)/t14-/m0/s1
InChIKeyLINHLMLUUXHUMB-AWEZNQCLSA-N
MW290.36 g/mol
LogP1.58
Rot. Bonds6

About 2-[[(2S)-1-benzylpyrrolidine-2-carbonyl]-ethylamino]acetic acid

2-[[(2S)-1-benzylpyrrolidine-2-carbonyl]-ethylamino]acetic acid (PubChem CID 124683732) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-[[(2S)-1-benzylpyrrolidine-2-carbonyl]-ethylamino]acetic acid.

Molecular Properties

Compound Name2-[[(2S)-1-benzylpyrrolidine-2-carbonyl]-ethylamino]acetic acid
PubChem CID124683732
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name2-[[(2S)-1-benzylpyrrolidine-2-carbonyl]-ethylamino]acetic acid
SMILESCCN(CC(=O)O)C(=O)[C@@H]1CCCN1Cc1ccccc1
InChIInChI=1S/C16H22N2O3/c1-2-17(12-15(19)20)16(21)14-9-6-10-18(14)11-13-7-4-3-5-8-13/h3-5,7-8,14H,2,6,9-12H2,1H3,(H,19,20)/t14-/m0/s1
InChIKeyLINHLMLUUXHUMB-AWEZNQCLSA-N
XLogP1.58
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-benzyl-N-methoxy-N-methylpyrrolidine-2-carboxamide
CID 91756900
2-[(1-benzylpyrrolidine-2-carbonyl)-methylamino]propanoic acid
CID 119358457
2-[[(2S)-1-benzylpyrrolidin-2-yl]methyl-ethylamino]acetic acid
CID 66564991
methyl 1-benzylpyrrolidine-2-carboxylate
CID 562947
1-(1-benzylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one
CID 70799307
1-benzyl-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethylpiperidine-2-carboxamide
CID 91830712
(2R)-1-benzylpyrrolidine-2-carboxamide;hydrochloride
CID 141477985
(1-benzylpyrrolidin-2-yl)-pyrrolidin-1-ylmethanone
CID 23282646
1-benzyl-N-[4-(diethylamino)phenyl]pyrrolidine-2-carboxamide
CID 60563181
N,N-diethyl-1-[(5-methyl-2-phenylphenyl)methyl]pyrrolidine-2-carboxamide
CID 70967430
methyl 1-benzylpiperidine-2-carboxylate
CID 10443988
(2S)-1-benzyl-N-butylpyrrolidine-2-carboxamide
CID 131848769

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-1-benzylpyrrolidine-2-carbonyl]-ethylamino]acetic acid?
The IUPAC name of 2-[[(2S)-1-benzylpyrrolidine-2-carbonyl]-ethylamino]acetic acid (CID 124683732) is 2-[[(2S)-1-benzylpyrrolidine-2-carbonyl]-ethylamino]acetic acid.
What is the SMILES notation for 2-[[(2S)-1-benzylpyrrolidine-2-carbonyl]-ethylamino]acetic acid?
The canonical SMILES for 2-[[(2S)-1-benzylpyrrolidine-2-carbonyl]-ethylamino]acetic acid is CCN(CC(=O)O)C(=O)[C@@H]1CCCN1Cc1ccccc1.
What is the InChIKey of 2-[[(2S)-1-benzylpyrrolidine-2-carbonyl]-ethylamino]acetic acid?
The InChIKey is LINHLMLUUXHUMB-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-2-17(12-15(19)20)16(21)14-9-6-10-18(14)11-13-7-4-3-5-8-13/h3-5,7-8,14H,2,6,9-12H2,1H3,(H,19,20)/t14-/m0/s1.
What are the key properties of 2-[[(2S)-1-benzylpyrrolidine-2-carbonyl]-ethylamino]acetic acid?
2-[[(2S)-1-benzylpyrrolidine-2-carbonyl]-ethylamino]acetic acid has a molecular weight of 290.36 g/mol, XLogP of 1.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-1-benzylpyrrolidine-2-carbonyl]-ethylamino]acetic acid is sourced from PubChem (CID 124683732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).