(3S)-3-(cyclopropylmethylamino)pyrrolidine-1-carboxylic acid

C9H16N2O2 — CID 68917918

IUPAC(3S)-3-(cyclopropylmethylamino)pyrrolidine-1-carboxylic acid
SMILESO=C(O)N1CC[C@H](NCC2CC2)C1
InChIInChI=1S/C9H16N2O2/c12-9(13)11-4-3-8(6-11)10-5-7-1-2-7/h7-8,10H,1-6H2,(H,12,13)/t8-/m0/s1
InChIKeyYIUFLBWITVGVLK-QMMMGPOBSA-N
MW184.24 g/mol
LogP0.74
Rot. Bonds3

About (3S)-3-(cyclopropylmethylamino)pyrrolidine-1-carboxylic acid

(3S)-3-(cyclopropylmethylamino)pyrrolidine-1-carboxylic acid (PubChem CID 68917918) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is (3S)-3-(cyclopropylmethylamino)pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name(3S)-3-(cyclopropylmethylamino)pyrrolidine-1-carboxylic acid
PubChem CID68917918
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name(3S)-3-(cyclopropylmethylamino)pyrrolidine-1-carboxylic acid
SMILESO=C(O)N1CC[C@H](NCC2CC2)C1
InChIInChI=1S/C9H16N2O2/c12-9(13)11-4-3-8(6-11)10-5-7-1-2-7/h7-8,10H,1-6H2,(H,12,13)/t8-/m0/s1
InChIKeyYIUFLBWITVGVLK-QMMMGPOBSA-N
XLogP0.74
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(cyclopentylmethylamino)pyrrolidin-1-yl]ethanone
CID 115908114
4-(cyclopropylmethylamino)-N,N-dimethylpiperidine-1-carboxamide
CID 115307162
cyclopropyl-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
CID 43747911
[4-(cyclopropylmethylamino)piperidin-1-yl]-pyrrolidin-1-ylmethanone
CID 115307161
4-[(cyclopropylmethylamino)methyl]piperidine-1-carboxylic acid
CID 22047936
benzyl (3S)-3-(cyclopropylmethylamino)pyrrolidine-1-carboxylate
CID 168979000
[4-(cyclopropylmethylamino)piperidin-1-yl]-piperidin-1-ylmethanone
CID 115307169
(3S,5R)-3-(cyclopropylmethylamino)-5-(morpholine-4-carbonyl)piperidine-1-carboxylic acid
CID 68664267
1-[4-[(4-hydroxycyclohexyl)methylamino]piperidin-1-yl]ethanone
CID 114146739
tert-butyl 3-(cycloheptylmethylamino)pyrrolidine-1-carboxylate
CID 107239420
4-[(4-hydroxycyclohexyl)methylamino]piperidine-1-carboxamide
CID 106126146
cycloheptyl-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
CID 81483591

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(cyclopropylmethylamino)pyrrolidine-1-carboxylic acid?
The IUPAC name of (3S)-3-(cyclopropylmethylamino)pyrrolidine-1-carboxylic acid (CID 68917918) is (3S)-3-(cyclopropylmethylamino)pyrrolidine-1-carboxylic acid.
What is the SMILES notation for (3S)-3-(cyclopropylmethylamino)pyrrolidine-1-carboxylic acid?
The canonical SMILES for (3S)-3-(cyclopropylmethylamino)pyrrolidine-1-carboxylic acid is O=C(O)N1CC[C@H](NCC2CC2)C1.
What is the InChIKey of (3S)-3-(cyclopropylmethylamino)pyrrolidine-1-carboxylic acid?
The InChIKey is YIUFLBWITVGVLK-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H16N2O2/c12-9(13)11-4-3-8(6-11)10-5-7-1-2-7/h7-8,10H,1-6H2,(H,12,13)/t8-/m0/s1.
What are the key properties of (3S)-3-(cyclopropylmethylamino)pyrrolidine-1-carboxylic acid?
(3S)-3-(cyclopropylmethylamino)pyrrolidine-1-carboxylic acid has a molecular weight of 184.24 g/mol, XLogP of 0.74, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(cyclopropylmethylamino)pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 68917918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).