1-[cyclopropylmethyl(propan-2-yl)carbamoyl]piperidine-2-carboxylic acid

C14H24N2O3 — CID 55000610

IUPAC1-[cyclopropylmethyl(propan-2-yl)carbamoyl]piperidine-2-carboxylic acid
SMILESCC(C)N(CC1CC1)C(=O)N1CCCCC1C(=O)O
InChIInChI=1S/C14H24N2O3/c1-10(2)16(9-11-6-7-11)14(19)15-8-4-3-5-12(15)13(17)18/h10-12H,3-9H2,1-2H3,(H,17,18)
InChIKeyVAYSQJZDZCIHIL-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.17
Rot. Bonds4

About 1-[cyclopropylmethyl(propan-2-yl)carbamoyl]piperidine-2-carboxylic acid

1-[cyclopropylmethyl(propan-2-yl)carbamoyl]piperidine-2-carboxylic acid (PubChem CID 55000610) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-[cyclopropylmethyl(propan-2-yl)carbamoyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[cyclopropylmethyl(propan-2-yl)carbamoyl]piperidine-2-carboxylic acid
PubChem CID55000610
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name1-[cyclopropylmethyl(propan-2-yl)carbamoyl]piperidine-2-carboxylic acid
SMILESCC(C)N(CC1CC1)C(=O)N1CCCCC1C(=O)O
InChIInChI=1S/C14H24N2O3/c1-10(2)16(9-11-6-7-11)14(19)15-8-4-3-5-12(15)13(17)18/h10-12H,3-9H2,1-2H3,(H,17,18)
InChIKeyVAYSQJZDZCIHIL-UHFFFAOYSA-N
XLogP2.17
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[cyclopropylmethyl(propan-2-yl)carbamoyl]piperidine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[cyclopentylmethyl(methyl)carbamoyl]azepane-2-carboxylic acid
CID 64564499
(2R)-1-[(2-amino-2-oxoethyl)-propan-2-ylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 78922543
2-[1-[cyclopropylmethyl(propan-2-yl)carbamoyl]pyrrolidin-2-yl]acetic acid
CID 55000168
1-[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]piperidine-2-carboxylic acid
CID 63234842
1-[butan-2-yl(ethyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61199849
1-[cyclopropyl(3-methylbutyl)carbamoyl]piperidine-2-carboxylic acid
CID 78974429
(2S)-1-[cyclopropylmethyl(propyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61443079
1-[benzyl(propan-2-yl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61186053
1-[methyl(2-methylpropyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61196249
1-[1-hydroxypropan-2-yl(methyl)carbamoyl]azocane-2-carboxylic acid
CID 114239873
1-[3,3-dimethylbutan-2-yl(methyl)carbamoyl]azepane-2-carboxylic acid
CID 64564688
1-[methyl(3-methylbutan-2-yl)carbamoyl]azepane-2-carboxylic acid
CID 64561748

Frequently Asked Questions

What is the IUPAC name of 1-[cyclopropylmethyl(propan-2-yl)carbamoyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[cyclopropylmethyl(propan-2-yl)carbamoyl]piperidine-2-carboxylic acid (CID 55000610) is 1-[cyclopropylmethyl(propan-2-yl)carbamoyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[cyclopropylmethyl(propan-2-yl)carbamoyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[cyclopropylmethyl(propan-2-yl)carbamoyl]piperidine-2-carboxylic acid is CC(C)N(CC1CC1)C(=O)N1CCCCC1C(=O)O.
What is the InChIKey of 1-[cyclopropylmethyl(propan-2-yl)carbamoyl]piperidine-2-carboxylic acid?
The InChIKey is VAYSQJZDZCIHIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-10(2)16(9-11-6-7-11)14(19)15-8-4-3-5-12(15)13(17)18/h10-12H,3-9H2,1-2H3,(H,17,18).
What are the key properties of 1-[cyclopropylmethyl(propan-2-yl)carbamoyl]piperidine-2-carboxylic acid?
1-[cyclopropylmethyl(propan-2-yl)carbamoyl]piperidine-2-carboxylic acid has a molecular weight of 268.36 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclopropylmethyl(propan-2-yl)carbamoyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 55000610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).