1-[[[butyl(cyclopropyl)carbamoyl]amino]methyl]cyclopentane-1-carboxylic acid

C15H26N2O3 — CID 115434120

IUPAC1-[[[butyl(cyclopropyl)carbamoyl]amino]methyl]cyclopentane-1-carboxylic acid
SMILESCCCCN(C(=O)NCC1(C(=O)O)CCCC1)C1CC1
InChIInChI=1S/C15H26N2O3/c1-2-3-10-17(12-6-7-12)14(20)16-11-15(13(18)19)8-4-5-9-15/h12H,2-11H2,1H3,(H,16,20)(H,18,19)
InChIKeyMTPFXLIZZWUCPF-UHFFFAOYSA-N
MW282.38 g/mol
LogP2.61
Rot. Bonds7

About 1-[[[butyl(cyclopropyl)carbamoyl]amino]methyl]cyclopentane-1-carboxylic acid

1-[[[butyl(cyclopropyl)carbamoyl]amino]methyl]cyclopentane-1-carboxylic acid (PubChem CID 115434120) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 1-[[[butyl(cyclopropyl)carbamoyl]amino]methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[[butyl(cyclopropyl)carbamoyl]amino]methyl]cyclopentane-1-carboxylic acid
PubChem CID115434120
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name1-[[[butyl(cyclopropyl)carbamoyl]amino]methyl]cyclopentane-1-carboxylic acid
SMILESCCCCN(C(=O)NCC1(C(=O)O)CCCC1)C1CC1
InChIInChI=1S/C15H26N2O3/c1-2-3-10-17(12-6-7-12)14(20)16-11-15(13(18)19)8-4-5-9-15/h12H,2-11H2,1H3,(H,16,20)(H,18,19)
InChIKeyMTPFXLIZZWUCPF-UHFFFAOYSA-N
XLogP2.61
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[[cyclopropyl(3-methylbutyl)carbamoyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 115434207
1-[[[butyl(ethyl)carbamoyl]amino]methyl]cycloheptane-1-carboxylic acid
CID 115444679
1-[[[butyl(2-hydroxyethyl)carbamoyl]amino]methyl]cyclobutane-1-carboxylic acid
CID 115446533
1-[[[cyclopropyl(methyl)carbamoyl]amino]methyl]cyclobutane-1-carboxylic acid
CID 115446401
1-[[[pentyl(propan-2-yl)carbamoyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 115434197
1-[[[propan-2-yl(propyl)carbamoyl]amino]methyl]cycloheptane-1-carboxylic acid
CID 115444699
1-[[[butan-2-yl(butyl)carbamoyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115451466
1-[butyl(cyclopropyl)carbamoyl]-3-ethylpiperidine-3-carboxylic acid
CID 63136624
1-[[[2-(dimethylamino)ethyl-methylcarbamoyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 113309363
1-[[[3-(dimethylamino)propyl-methylcarbamoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 115436923
1-[[[cyclopropylmethyl(methyl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 115436769
4-[[butyl(cyclopropyl)carbamoyl]amino]oxane-4-carboxylic acid
CID 115292961

Frequently Asked Questions

What is the IUPAC name of 1-[[[butyl(cyclopropyl)carbamoyl]amino]methyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[[[butyl(cyclopropyl)carbamoyl]amino]methyl]cyclopentane-1-carboxylic acid (CID 115434120) is 1-[[[butyl(cyclopropyl)carbamoyl]amino]methyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[[[butyl(cyclopropyl)carbamoyl]amino]methyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[[[butyl(cyclopropyl)carbamoyl]amino]methyl]cyclopentane-1-carboxylic acid is CCCCN(C(=O)NCC1(C(=O)O)CCCC1)C1CC1.
What is the InChIKey of 1-[[[butyl(cyclopropyl)carbamoyl]amino]methyl]cyclopentane-1-carboxylic acid?
The InChIKey is MTPFXLIZZWUCPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-2-3-10-17(12-6-7-12)14(20)16-11-15(13(18)19)8-4-5-9-15/h12H,2-11H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 1-[[[butyl(cyclopropyl)carbamoyl]amino]methyl]cyclopentane-1-carboxylic acid?
1-[[[butyl(cyclopropyl)carbamoyl]amino]methyl]cyclopentane-1-carboxylic acid has a molecular weight of 282.38 g/mol, XLogP of 2.61, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[butyl(cyclopropyl)carbamoyl]amino]methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 115434120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).