1-[[[pentyl(propan-2-yl)carbamoyl]amino]methyl]cyclopentane-1-carboxylic acid

C16H30N2O3 — CID 115434197

IUPAC1-[[[pentyl(propan-2-yl)carbamoyl]amino]methyl]cyclopentane-1-carboxylic acid
SMILESCCCCCN(C(=O)NCC1(C(=O)O)CCCC1)C(C)C
InChIInChI=1S/C16H30N2O3/c1-4-5-8-11-18(13(2)3)15(21)17-12-16(14(19)20)9-6-7-10-16/h13H,4-12H2,1-3H3,(H,17,21)(H,19,20)
InChIKeyHOHHIGJRYHNUKY-UHFFFAOYSA-N
MW298.43 g/mol
LogP3.24
Rot. Bonds8

About 1-[[[pentyl(propan-2-yl)carbamoyl]amino]methyl]cyclopentane-1-carboxylic acid

1-[[[pentyl(propan-2-yl)carbamoyl]amino]methyl]cyclopentane-1-carboxylic acid (PubChem CID 115434197) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is 1-[[[pentyl(propan-2-yl)carbamoyl]amino]methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[[pentyl(propan-2-yl)carbamoyl]amino]methyl]cyclopentane-1-carboxylic acid
PubChem CID115434197
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Name1-[[[pentyl(propan-2-yl)carbamoyl]amino]methyl]cyclopentane-1-carboxylic acid
SMILESCCCCCN(C(=O)NCC1(C(=O)O)CCCC1)C(C)C
InChIInChI=1S/C16H30N2O3/c1-4-5-8-11-18(13(2)3)15(21)17-12-16(14(19)20)9-6-7-10-16/h13H,4-12H2,1-3H3,(H,17,21)(H,19,20)
InChIKeyHOHHIGJRYHNUKY-UHFFFAOYSA-N
XLogP3.24
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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(ethyl)carbamoyl]amino]methyl]cycloheptane-1-carboxylic acid
CID 115444679
1-[[[butyl(cyclopropyl)carbamoyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 115434120
1-[[[butan-2-yl(methyl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 115436713
1-[[[butyl(2-hydroxyethyl)carbamoyl]amino]methyl]cyclobutane-1-carboxylic acid
CID 115446533
1-[(hexan-2-ylcarbamoylamino)methyl]cyclopentane-1-carboxylic acid
CID 113309355
1-[(pentylcarbamoylamino)methyl]cycloheptane-1-carboxylic acid
CID 115444674
1-[[[methyl(4-methylpentan-2-yl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 115436843
1-methyl-2-[[pentyl(propan-2-yl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 82764894
1-[2-[butan-2-yl(butyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 60662129
1-[[[5-hydroxypentyl(methyl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 107201761

Frequently Asked Questions

What is the IUPAC name of 1-[[[pentyl(propan-2-yl)carbamoyl]amino]methyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[[[pentyl(propan-2-yl)carbamoyl]amino]methyl]cyclopentane-1-carboxylic acid (CID 115434197) is 1-[[[pentyl(propan-2-yl)carbamoyl]amino]methyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[[[pentyl(propan-2-yl)carbamoyl]amino]methyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[[[pentyl(propan-2-yl)carbamoyl]amino]methyl]cyclopentane-1-carboxylic acid is CCCCCN(C(=O)NCC1(C(=O)O)CCCC1)C(C)C.
What is the InChIKey of 1-[[[pentyl(propan-2-yl)carbamoyl]amino]methyl]cyclopentane-1-carboxylic acid?
The InChIKey is HOHHIGJRYHNUKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-4-5-8-11-18(13(2)3)15(21)17-12-16(14(19)20)9-6-7-10-16/h13H,4-12H2,1-3H3,(H,17,21)(H,19,20).
What are the key properties of 1-[[[pentyl(propan-2-yl)carbamoyl]amino]methyl]cyclopentane-1-carboxylic acid?
1-[[[pentyl(propan-2-yl)carbamoyl]amino]methyl]cyclopentane-1-carboxylic acid has a molecular weight of 298.43 g/mol, XLogP of 3.24, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[pentyl(propan-2-yl)carbamoyl]amino]methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 115434197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).