3-methyl-1-[(2-methylcyclopropyl)carbamoyl]piperidine-2-carboxylic acid

C12H20N2O3 — CID 107071599

IUPAC3-methyl-1-[(2-methylcyclopropyl)carbamoyl]piperidine-2-carboxylic acid
SMILESCC1CC1NC(=O)N1CCCC(C)C1C(=O)O
InChIInChI=1S/C12H20N2O3/c1-7-4-3-5-14(10(7)11(15)16)12(17)13-9-6-8(9)2/h7-10H,3-6H2,1-2H3,(H,13,17)(H,15,16)
InChIKeyRKIQYSASGGTZPT-UHFFFAOYSA-N
MW240.30 g/mol
LogP1.29
Rot. Bonds2

About 3-methyl-1-[(2-methylcyclopropyl)carbamoyl]piperidine-2-carboxylic acid

3-methyl-1-[(2-methylcyclopropyl)carbamoyl]piperidine-2-carboxylic acid (PubChem CID 107071599) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 3-methyl-1-[(2-methylcyclopropyl)carbamoyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-[(2-methylcyclopropyl)carbamoyl]piperidine-2-carboxylic acid
PubChem CID107071599
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name3-methyl-1-[(2-methylcyclopropyl)carbamoyl]piperidine-2-carboxylic acid
SMILESCC1CC1NC(=O)N1CCCC(C)C1C(=O)O
InChIInChI=1S/C12H20N2O3/c1-7-4-3-5-14(10(7)11(15)16)12(17)13-9-6-8(9)2/h7-10H,3-6H2,1-2H3,(H,13,17)(H,15,16)
InChIKeyRKIQYSASGGTZPT-UHFFFAOYSA-N
XLogP1.29
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-aminocyclohexyl)carbamoyl]-3-methylpiperidine-2-carboxylic acid
CID 107071406
1-[(2,3-dimethylcyclopentyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102782804
3-methyl-1-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoyl]piperidine-2-carboxylic acid
CID 106257801
1-[(3,3-dimethylcyclopentyl)carbamoyl]-3-methylpiperidine-2-carboxylic acid
CID 107071939
1-[(1-cyclopropylpyrrolidin-3-yl)carbamoyl]-3-methylpiperidine-2-carboxylic acid
CID 107071548
3-methyl-1-[(3-methyloxan-4-yl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 114241224
1-[(1-ethylcyclobutyl)carbamoyl]-3-methylpiperidine-2-carboxylic acid
CID 107071894
2-methyl-1-[(2-methylcyclopropyl)carbamoyl]piperidine-4-carboxylic acid
CID 106744253
1-[(2,2-dimethylcyclopropyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102782384
3-methyl-1-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]carbamoyl]piperidine-2-carboxylic acid
CID 107071850
1-[(3-methoxycyclobutyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid
CID 114120288
3-methyl-1-[(2-methylcyclopentyl)methylcarbamoyl]piperidine-2-carboxylic acid
CID 107419814

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[(2-methylcyclopropyl)carbamoyl]piperidine-2-carboxylic acid?
The IUPAC name of 3-methyl-1-[(2-methylcyclopropyl)carbamoyl]piperidine-2-carboxylic acid (CID 107071599) is 3-methyl-1-[(2-methylcyclopropyl)carbamoyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 3-methyl-1-[(2-methylcyclopropyl)carbamoyl]piperidine-2-carboxylic acid?
The canonical SMILES for 3-methyl-1-[(2-methylcyclopropyl)carbamoyl]piperidine-2-carboxylic acid is CC1CC1NC(=O)N1CCCC(C)C1C(=O)O.
What is the InChIKey of 3-methyl-1-[(2-methylcyclopropyl)carbamoyl]piperidine-2-carboxylic acid?
The InChIKey is RKIQYSASGGTZPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-7-4-3-5-14(10(7)11(15)16)12(17)13-9-6-8(9)2/h7-10H,3-6H2,1-2H3,(H,13,17)(H,15,16).
What are the key properties of 3-methyl-1-[(2-methylcyclopropyl)carbamoyl]piperidine-2-carboxylic acid?
3-methyl-1-[(2-methylcyclopropyl)carbamoyl]piperidine-2-carboxylic acid has a molecular weight of 240.30 g/mol, XLogP of 1.29, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[(2-methylcyclopropyl)carbamoyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 107071599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).