2-[(2-hydroxycyclohexyl)methylamino]pentanoic acid

C12H23NO3 — CID 83040701

IUPAC2-[(2-hydroxycyclohexyl)methylamino]pentanoic acid
SMILESCCCC(NCC1CCCCC1O)C(=O)O
InChIInChI=1S/C12H23NO3/c1-2-5-10(12(15)16)13-8-9-6-3-4-7-11(9)14/h9-11,13-14H,2-8H2,1H3,(H,15,16)
InChIKeyKBEVYYCLFLQLAI-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.38
Rot. Bonds6

About 2-[(2-hydroxycyclohexyl)methylamino]pentanoic acid

2-[(2-hydroxycyclohexyl)methylamino]pentanoic acid (PubChem CID 83040701) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is 2-[(2-hydroxycyclohexyl)methylamino]pentanoic acid.

Molecular Properties

Compound Name2-[(2-hydroxycyclohexyl)methylamino]pentanoic acid
PubChem CID83040701
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name2-[(2-hydroxycyclohexyl)methylamino]pentanoic acid
SMILESCCCC(NCC1CCCCC1O)C(=O)O
InChIInChI=1S/C12H23NO3/c1-2-5-10(12(15)16)13-8-9-6-3-4-7-11(9)14/h9-11,13-14H,2-8H2,1H3,(H,15,16)
InChIKeyKBEVYYCLFLQLAI-UHFFFAOYSA-N
XLogP1.38
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-hydroxycyclohexyl)methylamino]-3-methoxypropanoic acid
CID 103254110
ethyl 2-[(2-hydroxycyclohexyl)methylamino]butanoate
CID 64913476
2-[(pentan-2-ylamino)methyl]cyclohexan-1-ol
CID 64927417
methyl 2-[(2-hydroxycyclohexyl)methylamino]hexanoate
CID 103254108
methyl 2-[(2-hydroxycyclopentyl)methylamino]hexanoate
CID 103255155
3-[(2-hydroxycyclohexyl)methylamino]butanoic acid
CID 64911182
2-[[(2S)-2-cyclohexyl-2-hydroxyethyl]amino]pentanoic acid
CID 69166197
2-(cyclohex-3-en-1-ylmethylamino)pentanoic acid
CID 83041207
N-butyl-2-[(2-hydroxycyclohexyl)methylamino]propanamide
CID 64913889
2-[(propan-2-ylamino)methyl]cyclopentan-1-ol
CID 13133892
2-[(4-cyclopentylphenyl)methylamino]pentanoic acid
CID 122039745
N-cyclopropyl-2-[(2-hydroxycyclohexyl)methylamino]propanamide
CID 64913669

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxycyclohexyl)methylamino]pentanoic acid?
The IUPAC name of 2-[(2-hydroxycyclohexyl)methylamino]pentanoic acid (CID 83040701) is 2-[(2-hydroxycyclohexyl)methylamino]pentanoic acid.
What is the SMILES notation for 2-[(2-hydroxycyclohexyl)methylamino]pentanoic acid?
The canonical SMILES for 2-[(2-hydroxycyclohexyl)methylamino]pentanoic acid is CCCC(NCC1CCCCC1O)C(=O)O.
What is the InChIKey of 2-[(2-hydroxycyclohexyl)methylamino]pentanoic acid?
The InChIKey is KBEVYYCLFLQLAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-2-5-10(12(15)16)13-8-9-6-3-4-7-11(9)14/h9-11,13-14H,2-8H2,1H3,(H,15,16).
What are the key properties of 2-[(2-hydroxycyclohexyl)methylamino]pentanoic acid?
2-[(2-hydroxycyclohexyl)methylamino]pentanoic acid has a molecular weight of 229.32 g/mol, XLogP of 1.38, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxycyclohexyl)methylamino]pentanoic acid is sourced from PubChem (CID 83040701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).