2-[(2-hydroxycyclohexyl)methylamino]-3-methoxypropanoic acid

C11H21NO4 — CID 103254110

IUPAC2-[(2-hydroxycyclohexyl)methylamino]-3-methoxypropanoic acid
SMILESCOCC(NCC1CCCCC1O)C(=O)O
InChIInChI=1S/C11H21NO4/c1-16-7-9(11(14)15)12-6-8-4-2-3-5-10(8)13/h8-10,12-13H,2-7H2,1H3,(H,14,15)
InChIKeyACCCATCIPLMYOP-UHFFFAOYSA-N
MW231.29 g/mol
LogP0.23
Rot. Bonds6

About 2-[(2-hydroxycyclohexyl)methylamino]-3-methoxypropanoic acid

2-[(2-hydroxycyclohexyl)methylamino]-3-methoxypropanoic acid (PubChem CID 103254110) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is 2-[(2-hydroxycyclohexyl)methylamino]-3-methoxypropanoic acid.

Molecular Properties

Compound Name2-[(2-hydroxycyclohexyl)methylamino]-3-methoxypropanoic acid
PubChem CID103254110
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Name2-[(2-hydroxycyclohexyl)methylamino]-3-methoxypropanoic acid
SMILESCOCC(NCC1CCCCC1O)C(=O)O
InChIInChI=1S/C11H21NO4/c1-16-7-9(11(14)15)12-6-8-4-2-3-5-10(8)13/h8-10,12-13H,2-7H2,1H3,(H,14,15)
InChIKeyACCCATCIPLMYOP-UHFFFAOYSA-N
XLogP0.23
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 50.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopentylmethylamino)-3-methoxypropanoic acid
CID 103237734
2-[(2-hydroxycyclohexyl)methylamino]pentanoic acid
CID 83040701
2-[(2-hydroxycyclohexyl)amino]-3-methoxypropanoic acid
CID 103249834
2-[(2-hydroxycyclohexyl)methylamino]-N-(3-methoxypropyl)propanamide
CID 64913690
2-[(4-ethylcyclohexyl)methylamino]-3-methoxypropanoic acid
CID 103240705
ethyl 2-[(2-hydroxycyclohexyl)methylamino]butanoate
CID 64913476
methyl 2-[(2-hydroxycyclohexyl)methylamino]hexanoate
CID 103254108
(2R)-2-amino-N-[(2-hydroxycyclohexyl)methyl]propanamide
CID 79001441
3-[(2-hydroxycyclohexyl)methylamino]butanoic acid
CID 64911182
methyl 2-[(2-hydroxycyclopentyl)methylamino]hexanoate
CID 103255155
(2S)-N-cyclopentyl-2-[[(1S,2S)-2-hydroxycyclohexyl]methylamino]propanamide
CID 97046649
N-cyclopropyl-2-[(2-hydroxycyclohexyl)methylamino]propanamide
CID 64913669

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxycyclohexyl)methylamino]-3-methoxypropanoic acid?
The IUPAC name of 2-[(2-hydroxycyclohexyl)methylamino]-3-methoxypropanoic acid (CID 103254110) is 2-[(2-hydroxycyclohexyl)methylamino]-3-methoxypropanoic acid.
What is the SMILES notation for 2-[(2-hydroxycyclohexyl)methylamino]-3-methoxypropanoic acid?
The canonical SMILES for 2-[(2-hydroxycyclohexyl)methylamino]-3-methoxypropanoic acid is COCC(NCC1CCCCC1O)C(=O)O.
What is the InChIKey of 2-[(2-hydroxycyclohexyl)methylamino]-3-methoxypropanoic acid?
The InChIKey is ACCCATCIPLMYOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4/c1-16-7-9(11(14)15)12-6-8-4-2-3-5-10(8)13/h8-10,12-13H,2-7H2,1H3,(H,14,15).
What are the key properties of 2-[(2-hydroxycyclohexyl)methylamino]-3-methoxypropanoic acid?
2-[(2-hydroxycyclohexyl)methylamino]-3-methoxypropanoic acid has a molecular weight of 231.29 g/mol, XLogP of 0.23, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxycyclohexyl)methylamino]-3-methoxypropanoic acid is sourced from PubChem (CID 103254110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).