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

C10H19NO4 — CID 103249834

IUPAC2-[(2-hydroxycyclohexyl)amino]-3-methoxypropanoic acid
SMILESCOCC(NC1CCCCC1O)C(=O)O
InChIInChI=1S/C10H19NO4/c1-15-6-8(10(13)14)11-7-4-2-3-5-9(7)12/h7-9,11-12H,2-6H2,1H3,(H,13,14)
InChIKeyAEAWECNGXSCYJC-UHFFFAOYSA-N
MW217.26 g/mol
LogP-0.02
Rot. Bonds5

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

2-[(2-hydroxycyclohexyl)amino]-3-methoxypropanoic acid (PubChem CID 103249834) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is 2-[(2-hydroxycyclohexyl)amino]-3-methoxypropanoic acid.

Molecular Properties

Compound Name2-[(2-hydroxycyclohexyl)amino]-3-methoxypropanoic acid
PubChem CID103249834
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Name2-[(2-hydroxycyclohexyl)amino]-3-methoxypropanoic acid
SMILESCOCC(NC1CCCCC1O)C(=O)O
InChIInChI=1S/C10H19NO4/c1-15-6-8(10(13)14)11-7-4-2-3-5-9(7)12/h7-9,11-12H,2-6H2,1H3,(H,13,14)
InChIKeyAEAWECNGXSCYJC-UHFFFAOYSA-N
XLogP-0.02
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 5-0.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-hydroxycyclohexyl)methylamino]-3-methoxypropanoic acid
CID 103254110
2-[(2,3-dimethylcyclopentyl)amino]-3-methoxypropanoic acid
CID 103254755
2-(cyclopropylamino)-3-methoxypropanoic acid;hydrochloride
CID 75493650
2-[[(1R,2R)-2-hydroxycyclohexyl]amino]-N-(2-methoxyethyl)propanamide
CID 102731613
2-[(1-methoxy-3-methylbutan-2-yl)amino]cyclohexan-1-ol
CID 65049574
2-(1-methoxypropan-2-ylamino)cyclopentan-1-ol
CID 60713672
2-(cyclopentylmethylamino)-3-methoxypropanoic acid
CID 103237734
(2S)-2-[[(1R,2R)-2-hydroxycyclohexyl]amino]-3-(4-hydroxyphenyl)propanoic acid
CID 28958417
2-(cycloheptanecarbonylamino)-3-methoxypropanoic acid
CID 81077203
2-(1-cyclopentylethylamino)-3-methoxypropanoic acid
CID 103251911
2-[(2,2-dimethylcyclopropyl)amino]-3-methoxypropanoic acid
CID 103244093
2-[(1,1-dioxothian-4-yl)amino]-3-methoxypropanoic acid
CID 103239254

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxycyclohexyl)amino]-3-methoxypropanoic acid?
The IUPAC name of 2-[(2-hydroxycyclohexyl)amino]-3-methoxypropanoic acid (CID 103249834) is 2-[(2-hydroxycyclohexyl)amino]-3-methoxypropanoic acid.
What is the SMILES notation for 2-[(2-hydroxycyclohexyl)amino]-3-methoxypropanoic acid?
The canonical SMILES for 2-[(2-hydroxycyclohexyl)amino]-3-methoxypropanoic acid is COCC(NC1CCCCC1O)C(=O)O.
What is the InChIKey of 2-[(2-hydroxycyclohexyl)amino]-3-methoxypropanoic acid?
The InChIKey is AEAWECNGXSCYJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-15-6-8(10(13)14)11-7-4-2-3-5-9(7)12/h7-9,11-12H,2-6H2,1H3,(H,13,14).
What are the key properties of 2-[(2-hydroxycyclohexyl)amino]-3-methoxypropanoic acid?
2-[(2-hydroxycyclohexyl)amino]-3-methoxypropanoic acid has a molecular weight of 217.26 g/mol, XLogP of -0.02, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxycyclohexyl)amino]-3-methoxypropanoic acid is sourced from PubChem (CID 103249834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).