1-[cyclopentylmethyl(methyl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid

C14H24N2O3 — CID 79382649

IUPAC1-[cyclopentylmethyl(methyl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid
SMILESCC1C(C(=O)O)CCN1C(=O)N(C)CC1CCCC1
InChIInChI=1S/C14H24N2O3/c1-10-12(13(17)18)7-8-16(10)14(19)15(2)9-11-5-3-4-6-11/h10-12H,3-9H2,1-2H3,(H,17,18)
InChIKeyCKMNXJRCWMXQLM-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.02
Rot. Bonds3

About 1-[cyclopentylmethyl(methyl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid

1-[cyclopentylmethyl(methyl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid (PubChem CID 79382649) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-[cyclopentylmethyl(methyl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[cyclopentylmethyl(methyl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid
PubChem CID79382649
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name1-[cyclopentylmethyl(methyl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid
SMILESCC1C(C(=O)O)CCN1C(=O)N(C)CC1CCCC1
InChIInChI=1S/C14H24N2O3/c1-10-12(13(17)18)7-8-16(10)14(19)15(2)9-11-5-3-4-6-11/h10-12H,3-9H2,1-2H3,(H,17,18)
InChIKeyCKMNXJRCWMXQLM-UHFFFAOYSA-N
XLogP2.02
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[cyclohexylmethyl(methyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102782013
1-[cyclopentylmethyl(methyl)carbamoyl]-3-methylpiperidine-2-carboxylic acid
CID 107071655
1-[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79379376
1-[cyclopentylmethyl(methyl)carbamoyl]azepane-2-carboxylic acid
CID 64564499
1-[cyclobutylmethyl(methyl)carbamoyl]-3-methylpiperidine-4-carboxylic acid
CID 114278576
(3S,4S)-1-[cyclopentylmethyl(methyl)carbamoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 114085926
1-[cyclohexylmethyl(methyl)carbamoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 63721123
1-[1-hydroxypropan-2-yl(methyl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid
CID 104553133
2-[1-[cyclohexylmethyl(methyl)carbamoyl]piperidin-2-yl]acetic acid
CID 61444100
(2S)-1-[cyclopentylmethyl(methyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 63657175
(2R,3S)-2-methylpyrrolidine-1,3-dicarboxylic acid
CID 137367540
(2S,3S)-2-methyl-1-[methyl(propan-2-yl)carbamoyl]piperidine-3-carboxylic acid
CID 122104890

Frequently Asked Questions

What is the IUPAC name of 1-[cyclopentylmethyl(methyl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[cyclopentylmethyl(methyl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid (CID 79382649) is 1-[cyclopentylmethyl(methyl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[cyclopentylmethyl(methyl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[cyclopentylmethyl(methyl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid is CC1C(C(=O)O)CCN1C(=O)N(C)CC1CCCC1.
What is the InChIKey of 1-[cyclopentylmethyl(methyl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid?
The InChIKey is CKMNXJRCWMXQLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-10-12(13(17)18)7-8-16(10)14(19)15(2)9-11-5-3-4-6-11/h10-12H,3-9H2,1-2H3,(H,17,18).
What are the key properties of 1-[cyclopentylmethyl(methyl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid?
1-[cyclopentylmethyl(methyl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid has a molecular weight of 268.36 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclopentylmethyl(methyl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 79382649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).