5-[[cyclopropyl(methyl)carbamoyl]amino]hexanoic acid

C11H20N2O3 — CID 82844825

IUPAC5-[[cyclopropyl(methyl)carbamoyl]amino]hexanoic acid
SMILESCC(CCCC(=O)O)NC(=O)N(C)C1CC1
InChIInChI=1S/C11H20N2O3/c1-8(4-3-5-10(14)15)12-11(16)13(2)9-6-7-9/h8-9H,3-7H2,1-2H3,(H,12,16)(H,14,15)
InChIKeyOKCGJDIFSYTWOV-UHFFFAOYSA-N
MW228.29 g/mol
LogP1.43
Rot. Bonds6

About 5-[[cyclopropyl(methyl)carbamoyl]amino]hexanoic acid

5-[[cyclopropyl(methyl)carbamoyl]amino]hexanoic acid (PubChem CID 82844825) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 5-[[cyclopropyl(methyl)carbamoyl]amino]hexanoic acid.

Molecular Properties

Compound Name5-[[cyclopropyl(methyl)carbamoyl]amino]hexanoic acid
PubChem CID82844825
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name5-[[cyclopropyl(methyl)carbamoyl]amino]hexanoic acid
SMILESCC(CCCC(=O)O)NC(=O)N(C)C1CC1
InChIInChI=1S/C11H20N2O3/c1-8(4-3-5-10(14)15)12-11(16)13(2)9-6-7-9/h8-9H,3-7H2,1-2H3,(H,12,16)(H,14,15)
InChIKeyOKCGJDIFSYTWOV-UHFFFAOYSA-N
XLogP1.43
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-[[methyl-(3-methylcyclohexyl)carbamoyl]amino]hexanoic acid
CID 82848247
5-[[methyl-(2-methylcyclohexyl)carbamoyl]amino]hexanoic acid
CID 82848337
5-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]hexanoic acid
CID 82848088
5-[[cyclopentylmethyl(methyl)carbamoyl]amino]hexanoic acid
CID 82848349
5-[[methyl(3-methylbutyl)carbamoyl]amino]hexanoic acid
CID 82848330
2-[[cyclopentyl(methyl)carbamoyl]amino]pentanedioic acid
CID 61194163
5-[[methyl(oxolan-2-ylmethyl)carbamoyl]amino]hexanoic acid
CID 82848497
5-(cyclopentanecarbonylamino)hexanoic acid
CID 82854691
(2S)-2-[[cyclopropyl(methyl)carbamoyl]amino]-4-methylpentanoic acid
CID 61195446
5-[[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]amino]hexanoic acid
CID 105419701
5-[[methyl(phenyl)carbamoyl]amino]hexanoic acid
CID 82846573
5-[[methyl(2-methylsulfanylethyl)carbamoyl]amino]hexanoic acid
CID 112662505

Frequently Asked Questions

What is the IUPAC name of 5-[[cyclopropyl(methyl)carbamoyl]amino]hexanoic acid?
The IUPAC name of 5-[[cyclopropyl(methyl)carbamoyl]amino]hexanoic acid (CID 82844825) is 5-[[cyclopropyl(methyl)carbamoyl]amino]hexanoic acid.
What is the SMILES notation for 5-[[cyclopropyl(methyl)carbamoyl]amino]hexanoic acid?
The canonical SMILES for 5-[[cyclopropyl(methyl)carbamoyl]amino]hexanoic acid is CC(CCCC(=O)O)NC(=O)N(C)C1CC1.
What is the InChIKey of 5-[[cyclopropyl(methyl)carbamoyl]amino]hexanoic acid?
The InChIKey is OKCGJDIFSYTWOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-8(4-3-5-10(14)15)12-11(16)13(2)9-6-7-9/h8-9H,3-7H2,1-2H3,(H,12,16)(H,14,15).
What are the key properties of 5-[[cyclopropyl(methyl)carbamoyl]amino]hexanoic acid?
5-[[cyclopropyl(methyl)carbamoyl]amino]hexanoic acid has a molecular weight of 228.29 g/mol, XLogP of 1.43, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[cyclopropyl(methyl)carbamoyl]amino]hexanoic acid is sourced from PubChem (CID 82844825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).