1-[[(1R,2R)-2-(2-methylpropyl)cyclopropyl]carbamoyl]piperidine-4-carboxylic acid

C14H24N2O3 — CID 122017364

IUPAC1-[[(1R,2R)-2-(2-methylpropyl)cyclopropyl]carbamoyl]piperidine-4-carboxylic acid
SMILESCC(C)C[C@@H]1C[C@H]1NC(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C14H24N2O3/c1-9(2)7-11-8-12(11)15-14(19)16-5-3-10(4-6-16)13(17)18/h9-12H,3-8H2,1-2H3,(H,15,19)(H,17,18)/t11-,12-/m1/s1
InChIKeyAGMPCRNEMHKXJU-VXGBXAGGSA-N
MW268.36 g/mol
LogP1.93
Rot. Bonds4

About 1-[[(1R,2R)-2-(2-methylpropyl)cyclopropyl]carbamoyl]piperidine-4-carboxylic acid

1-[[(1R,2R)-2-(2-methylpropyl)cyclopropyl]carbamoyl]piperidine-4-carboxylic acid (PubChem CID 122017364) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-[[(1R,2R)-2-(2-methylpropyl)cyclopropyl]carbamoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[[(1R,2R)-2-(2-methylpropyl)cyclopropyl]carbamoyl]piperidine-4-carboxylic acid
PubChem CID122017364
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name1-[[(1R,2R)-2-(2-methylpropyl)cyclopropyl]carbamoyl]piperidine-4-carboxylic acid
SMILESCC(C)C[C@@H]1C[C@H]1NC(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C14H24N2O3/c1-9(2)7-11-8-12(11)15-14(19)16-5-3-10(4-6-16)13(17)18/h9-12H,3-8H2,1-2H3,(H,15,19)(H,17,18)/t11-,12-/m1/s1
InChIKeyAGMPCRNEMHKXJU-VXGBXAGGSA-N
XLogP1.93
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[3-(2-methylpropyl)pyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 122023327
N-(2-ethylcyclopropyl)-4-methylpiperidine-1-carboxamide
CID 103878354
1-[[(1R,2S)-2-cyclohexylcyclopropyl]carbamoyl]piperidine-4-carboxylic acid
CID 122012285
1-[[(E)-2,3-dimethylbut-1-enyl]carbamoyl]piperidine-4-carboxylic acid
CID 108914589
1-[[(1R,2R)-2-methoxycyclopentyl]carbamoyl]piperidine-4-carboxylic acid
CID 122016519
1-[2-(2-methylpropylamino)acetyl]piperidine-4-carboxylic acid
CID 103869483
1-[[(1S,2S)-2-(2,2,2-trifluoroethyl)cyclohexyl]carbamoyl]piperidine-4-carboxylic acid
CID 122016138
1-[[(1R,3R)-3-propan-2-yl-2,3-dihydro-1H-inden-1-yl]carbamoyl]piperidine-4-carboxylic acid
CID 122012405
1-[[(1S,3R)-3-ethoxycarbonylcyclopentyl]carbamoyl]piperidine-4-carboxylic acid
CID 122013092
1-(2-methylpropylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 63031885
1-(heptan-2-ylcarbamoyl)piperidine-4-carboxylic acid
CID 61465992
1-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoyl]piperidine-4-carboxylic acid
CID 61478723

Frequently Asked Questions

What is the IUPAC name of 1-[[(1R,2R)-2-(2-methylpropyl)cyclopropyl]carbamoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[[(1R,2R)-2-(2-methylpropyl)cyclopropyl]carbamoyl]piperidine-4-carboxylic acid (CID 122017364) is 1-[[(1R,2R)-2-(2-methylpropyl)cyclopropyl]carbamoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[[(1R,2R)-2-(2-methylpropyl)cyclopropyl]carbamoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[[(1R,2R)-2-(2-methylpropyl)cyclopropyl]carbamoyl]piperidine-4-carboxylic acid is CC(C)C[C@@H]1C[C@H]1NC(=O)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-[[(1R,2R)-2-(2-methylpropyl)cyclopropyl]carbamoyl]piperidine-4-carboxylic acid?
The InChIKey is AGMPCRNEMHKXJU-VXGBXAGGSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-9(2)7-11-8-12(11)15-14(19)16-5-3-10(4-6-16)13(17)18/h9-12H,3-8H2,1-2H3,(H,15,19)(H,17,18)/t11-,12-/m1/s1.
What are the key properties of 1-[[(1R,2R)-2-(2-methylpropyl)cyclopropyl]carbamoyl]piperidine-4-carboxylic acid?
1-[[(1R,2R)-2-(2-methylpropyl)cyclopropyl]carbamoyl]piperidine-4-carboxylic acid has a molecular weight of 268.36 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1R,2R)-2-(2-methylpropyl)cyclopropyl]carbamoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 122017364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).