(2S)-1-[cyclopropylmethyl(propyl)carbamoyl]pyrrolidine-2-carboxylic acid

C13H22N2O3 — CID 61443079

IUPAC(2S)-1-[cyclopropylmethyl(propyl)carbamoyl]pyrrolidine-2-carboxylic acid
SMILESCCCN(CC1CC1)C(=O)N1CCC[C@H]1C(=O)O
InChIInChI=1S/C13H22N2O3/c1-2-7-14(9-10-5-6-10)13(18)15-8-3-4-11(15)12(16)17/h10-11H,2-9H2,1H3,(H,16,17)/t11-/m0/s1
InChIKeyZFEHKVXOSCFQKW-NSHDSACASA-N
MW254.33 g/mol
LogP1.78
Rot. Bonds5

About (2S)-1-[cyclopropylmethyl(propyl)carbamoyl]pyrrolidine-2-carboxylic acid

(2S)-1-[cyclopropylmethyl(propyl)carbamoyl]pyrrolidine-2-carboxylic acid (PubChem CID 61443079) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is (2S)-1-[cyclopropylmethyl(propyl)carbamoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-[cyclopropylmethyl(propyl)carbamoyl]pyrrolidine-2-carboxylic acid
PubChem CID61443079
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name(2S)-1-[cyclopropylmethyl(propyl)carbamoyl]pyrrolidine-2-carboxylic acid
SMILESCCCN(CC1CC1)C(=O)N1CCC[C@H]1C(=O)O
InChIInChI=1S/C13H22N2O3/c1-2-7-14(9-10-5-6-10)13(18)15-8-3-4-11(15)12(16)17/h10-11H,2-9H2,1H3,(H,16,17)/t11-/m0/s1
InChIKeyZFEHKVXOSCFQKW-NSHDSACASA-N
XLogP1.78
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-[ethyl(propyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61195285
(2R)-1-[[2-(dimethylamino)-2-oxoethyl]-propylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 78922691
(2S)-1-[propyl(2,2,2-trifluoroethyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 55009567
1-[[2-(methylamino)-2-oxoethyl]-propylcarbamoyl]azepane-2-carboxylic acid
CID 64562539
N-(cyclopropylmethyl)-N-propylpyrrolidine-1-carboxamide
CID 115578768
1-[methyl(pentyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61197967
1-[ethyl(2-methylprop-2-enyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61184167
1-[cyclopropylmethyl(propan-2-yl)carbamoyl]piperidine-2-carboxylic acid
CID 55000610
(2S)-1-[piperidin-4-yl(propyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61407896
(2R)-1-[2-(dimethylamino)ethyl-methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 55226778
(2R)-1-[methyl(pentan-2-yl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 78922876
1-[bis(cyclopropylmethyl)carbamoyl]-3-methylpiperidine-2-carboxylic acid
CID 107071692

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[cyclopropylmethyl(propyl)carbamoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-[cyclopropylmethyl(propyl)carbamoyl]pyrrolidine-2-carboxylic acid (CID 61443079) is (2S)-1-[cyclopropylmethyl(propyl)carbamoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-[cyclopropylmethyl(propyl)carbamoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-[cyclopropylmethyl(propyl)carbamoyl]pyrrolidine-2-carboxylic acid is CCCN(CC1CC1)C(=O)N1CCC[C@H]1C(=O)O.
What is the InChIKey of (2S)-1-[cyclopropylmethyl(propyl)carbamoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is ZFEHKVXOSCFQKW-NSHDSACASA-N. The full InChI is InChI=1S/C13H22N2O3/c1-2-7-14(9-10-5-6-10)13(18)15-8-3-4-11(15)12(16)17/h10-11H,2-9H2,1H3,(H,16,17)/t11-/m0/s1.
What are the key properties of (2S)-1-[cyclopropylmethyl(propyl)carbamoyl]pyrrolidine-2-carboxylic acid?
(2S)-1-[cyclopropylmethyl(propyl)carbamoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 254.33 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[cyclopropylmethyl(propyl)carbamoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 61443079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).