2-[[[(2S)-pyrrolidine-2-carbonyl]amino]methyl]butanoic acid

C10H18N2O3 — CID 65224542

IUPAC2-[[[(2S)-pyrrolidine-2-carbonyl]amino]methyl]butanoic acid
SMILESCCC(CNC(=O)[C@@H]1CCCN1)C(=O)O
InChIInChI=1S/C10H18N2O3/c1-2-7(10(14)15)6-12-9(13)8-4-3-5-11-8/h7-8,11H,2-6H2,1H3,(H,12,13)(H,14,15)/t7?,8-/m0/s1
InChIKeyNHSGNYDAUDAFPA-MQWKRIRWSA-N
MW214.26 g/mol
LogP-0.03
Rot. Bonds5

About 2-[[[(2S)-pyrrolidine-2-carbonyl]amino]methyl]butanoic acid

2-[[[(2S)-pyrrolidine-2-carbonyl]amino]methyl]butanoic acid (PubChem CID 65224542) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is 2-[[[(2S)-pyrrolidine-2-carbonyl]amino]methyl]butanoic acid.

Molecular Properties

Compound Name2-[[[(2S)-pyrrolidine-2-carbonyl]amino]methyl]butanoic acid
PubChem CID65224542
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name2-[[[(2S)-pyrrolidine-2-carbonyl]amino]methyl]butanoic acid
SMILESCCC(CNC(=O)[C@@H]1CCCN1)C(=O)O
InChIInChI=1S/C10H18N2O3/c1-2-7(10(14)15)6-12-9(13)8-4-3-5-11-8/h7-8,11H,2-6H2,1H3,(H,12,13)(H,14,15)/t7?,8-/m0/s1
InChIKeyNHSGNYDAUDAFPA-MQWKRIRWSA-N
XLogP-0.03
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4,4-dimethyl-2-[(piperidine-2-carbonylamino)methyl]pentanoic acid
CID 107475538
4-methyl-5-[[(2R)-pyrrolidine-2-carbonyl]amino]pentanoic acid
CID 104901378
N-(2,3-dimethylbutyl)pyrrolidine-2-carboxamide
CID 64597278
(2R)-N-(2-hydroxypentyl)piperidine-2-carboxamide
CID 103811163
3-(azepane-2-carbonylamino)-2-methylpropanoic acid
CID 64569148
(2R)-N-ethylpyrrolidine-2-carboxamide;molecular hydrogen
CID 178045420
N-(2-cyclopropylpropyl)pyrrolidine-2-carboxamide
CID 115591240
N-(2,2-dimethoxyethyl)pyrrolidine-2-carboxamide
CID 61275078
3-[(azepane-2-carbonylamino)methyl]pentanoic acid
CID 81072934
N-(2-propylhexyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119339774
N-(2-methylsulfanylpropyl)pyrrolidine-2-carboxamide
CID 115976802
N-propylpyrrolidine-2-carboxamide
CID 4984185

Frequently Asked Questions

What is the IUPAC name of 2-[[[(2S)-pyrrolidine-2-carbonyl]amino]methyl]butanoic acid?
The IUPAC name of 2-[[[(2S)-pyrrolidine-2-carbonyl]amino]methyl]butanoic acid (CID 65224542) is 2-[[[(2S)-pyrrolidine-2-carbonyl]amino]methyl]butanoic acid.
What is the SMILES notation for 2-[[[(2S)-pyrrolidine-2-carbonyl]amino]methyl]butanoic acid?
The canonical SMILES for 2-[[[(2S)-pyrrolidine-2-carbonyl]amino]methyl]butanoic acid is CCC(CNC(=O)[C@@H]1CCCN1)C(=O)O.
What is the InChIKey of 2-[[[(2S)-pyrrolidine-2-carbonyl]amino]methyl]butanoic acid?
The InChIKey is NHSGNYDAUDAFPA-MQWKRIRWSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-2-7(10(14)15)6-12-9(13)8-4-3-5-11-8/h7-8,11H,2-6H2,1H3,(H,12,13)(H,14,15)/t7?,8-/m0/s1.
What are the key properties of 2-[[[(2S)-pyrrolidine-2-carbonyl]amino]methyl]butanoic acid?
2-[[[(2S)-pyrrolidine-2-carbonyl]amino]methyl]butanoic acid has a molecular weight of 214.26 g/mol, XLogP of -0.03, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[(2S)-pyrrolidine-2-carbonyl]amino]methyl]butanoic acid is sourced from PubChem (CID 65224542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).