(4S,5S)-1,4-dimethyl-5-propylpyrrolidine-2-carboxylic acid

C10H19NO2 — CID 142992119

IUPAC(4S,5S)-1,4-dimethyl-5-propylpyrrolidine-2-carboxylic acid
SMILESCCC[C@H]1[C@@H](C)CC(C(=O)O)N1C
InChIInChI=1S/C10H19NO2/c1-4-5-8-7(2)6-9(10(12)13)11(8)3/h7-9H,4-6H2,1-3H3,(H,12,13)/t7-,8-,9?/m0/s1
InChIKeyMVCQJGIVPPHGGU-JVIMKECRSA-N
MW185.27 g/mol
LogP1.58
Rot. Bonds3

About (4S,5S)-1,4-dimethyl-5-propylpyrrolidine-2-carboxylic acid

(4S,5S)-1,4-dimethyl-5-propylpyrrolidine-2-carboxylic acid (PubChem CID 142992119) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is (4S,5S)-1,4-dimethyl-5-propylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(4S,5S)-1,4-dimethyl-5-propylpyrrolidine-2-carboxylic acid
PubChem CID142992119
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name(4S,5S)-1,4-dimethyl-5-propylpyrrolidine-2-carboxylic acid
SMILESCCC[C@H]1[C@@H](C)CC(C(=O)O)N1C
InChIInChI=1S/C10H19NO2/c1-4-5-8-7(2)6-9(10(12)13)11(8)3/h7-9H,4-6H2,1-3H3,(H,12,13)/t7-,8-,9?/m0/s1
InChIKeyMVCQJGIVPPHGGU-JVIMKECRSA-N
XLogP1.58
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,4,5,6-tetramethylpiperidine-2-carboxylic acid
CID 22081068
N,N,1,4-tetramethyl-5-propylpiperidine-2-carboxamide
CID 22974075
4,5-dipropylcyclohexane-1,2-dicarboxylic acid
CID 58183345
2,6-dimethyl-4-propylcyclohexane-1-carboxylic acid
CID 175170094
1-propylaziridine-2-carboxylic acid
CID 59817296
4-methyl-1-propylpiperidine-2-carboxylic acid
CID 114426252
1-methylpiperidine-2,6-dicarboxylic acid;hydrochloride
CID 141185672
(2S)-1,6-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-2-carboxylic acid
CID 163232065
(2S)-1-propylpyrrolidine-2-carboxylic acid;hydrochloride
CID 67785488
1-butylaziridine-2-carboxylic acid
CID 11643985
2-(2-methylpropyl)-4-propylcyclohexane-1-carboxylic acid
CID 81020731
3-amino-2-propylcyclobutane-1-carboxylic acid
CID 123989356

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-1,4-dimethyl-5-propylpyrrolidine-2-carboxylic acid?
The IUPAC name of (4S,5S)-1,4-dimethyl-5-propylpyrrolidine-2-carboxylic acid (CID 142992119) is (4S,5S)-1,4-dimethyl-5-propylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for (4S,5S)-1,4-dimethyl-5-propylpyrrolidine-2-carboxylic acid?
The canonical SMILES for (4S,5S)-1,4-dimethyl-5-propylpyrrolidine-2-carboxylic acid is CCC[C@H]1[C@@H](C)CC(C(=O)O)N1C.
What is the InChIKey of (4S,5S)-1,4-dimethyl-5-propylpyrrolidine-2-carboxylic acid?
The InChIKey is MVCQJGIVPPHGGU-JVIMKECRSA-N. The full InChI is InChI=1S/C10H19NO2/c1-4-5-8-7(2)6-9(10(12)13)11(8)3/h7-9H,4-6H2,1-3H3,(H,12,13)/t7-,8-,9?/m0/s1.
What are the key properties of (4S,5S)-1,4-dimethyl-5-propylpyrrolidine-2-carboxylic acid?
(4S,5S)-1,4-dimethyl-5-propylpyrrolidine-2-carboxylic acid has a molecular weight of 185.27 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-1,4-dimethyl-5-propylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 142992119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).