2-[[[(2-hydroxycyclohexyl)-methylcarbamoyl]amino]methyl]pentanoic acid

C14H26N2O4 — CID 102633495

IUPAC2-[[[(2-hydroxycyclohexyl)-methylcarbamoyl]amino]methyl]pentanoic acid
SMILESCCCC(CNC(=O)N(C)C1CCCCC1O)C(=O)O
InChIInChI=1S/C14H26N2O4/c1-3-6-10(13(18)19)9-15-14(20)16(2)11-7-4-5-8-12(11)17/h10-12,17H,3-9H2,1-2H3,(H,15,20)(H,18,19)
InChIKeyJPKVPVRWEOJXFH-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.43
Rot. Bonds6

About 2-[[[(2-hydroxycyclohexyl)-methylcarbamoyl]amino]methyl]pentanoic acid

2-[[[(2-hydroxycyclohexyl)-methylcarbamoyl]amino]methyl]pentanoic acid (PubChem CID 102633495) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is 2-[[[(2-hydroxycyclohexyl)-methylcarbamoyl]amino]methyl]pentanoic acid.

Molecular Properties

Compound Name2-[[[(2-hydroxycyclohexyl)-methylcarbamoyl]amino]methyl]pentanoic acid
PubChem CID102633495
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name2-[[[(2-hydroxycyclohexyl)-methylcarbamoyl]amino]methyl]pentanoic acid
SMILESCCCC(CNC(=O)N(C)C1CCCCC1O)C(=O)O
InChIInChI=1S/C14H26N2O4/c1-3-6-10(13(18)19)9-15-14(20)16(2)11-7-4-5-8-12(11)17/h10-12,17H,3-9H2,1-2H3,(H,15,20)(H,18,19)
InChIKeyJPKVPVRWEOJXFH-UHFFFAOYSA-N
XLogP1.43
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[[(2-hydroxycyclohexyl)-methylcarbamoyl]amino]methyl]pentanoic acid?
The IUPAC name of 2-[[[(2-hydroxycyclohexyl)-methylcarbamoyl]amino]methyl]pentanoic acid (CID 102633495) is 2-[[[(2-hydroxycyclohexyl)-methylcarbamoyl]amino]methyl]pentanoic acid.
What is the SMILES notation for 2-[[[(2-hydroxycyclohexyl)-methylcarbamoyl]amino]methyl]pentanoic acid?
The canonical SMILES for 2-[[[(2-hydroxycyclohexyl)-methylcarbamoyl]amino]methyl]pentanoic acid is CCCC(CNC(=O)N(C)C1CCCCC1O)C(=O)O.
What is the InChIKey of 2-[[[(2-hydroxycyclohexyl)-methylcarbamoyl]amino]methyl]pentanoic acid?
The InChIKey is JPKVPVRWEOJXFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-3-6-10(13(18)19)9-15-14(20)16(2)11-7-4-5-8-12(11)17/h10-12,17H,3-9H2,1-2H3,(H,15,20)(H,18,19).
What are the key properties of 2-[[[(2-hydroxycyclohexyl)-methylcarbamoyl]amino]methyl]pentanoic acid?
2-[[[(2-hydroxycyclohexyl)-methylcarbamoyl]amino]methyl]pentanoic acid has a molecular weight of 286.37 g/mol, XLogP of 1.43, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[(2-hydroxycyclohexyl)-methylcarbamoyl]amino]methyl]pentanoic acid is sourced from PubChem (CID 102633495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).