2-amino-3-(4-hydroxycyclohexyl)-3-methoxypropanoic acid

C10H19NO4 — CID 167112921

IUPAC2-amino-3-(4-hydroxycyclohexyl)-3-methoxypropanoic acid
SMILESCOC(C1CCC(O)CC1)C(N)C(=O)O
InChIInChI=1S/C10H19NO4/c1-15-9(8(11)10(13)14)6-2-4-7(12)5-3-6/h6-9,12H,2-5,11H2,1H3,(H,13,14)
InChIKeyRUVMOBJYCCSNBT-UHFFFAOYSA-N
MW217.26 g/mol
LogP-0.04
Rot. Bonds4

About 2-amino-3-(4-hydroxycyclohexyl)-3-methoxypropanoic acid

2-amino-3-(4-hydroxycyclohexyl)-3-methoxypropanoic acid (PubChem CID 167112921) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is 2-amino-3-(4-hydroxycyclohexyl)-3-methoxypropanoic acid.

Molecular Properties

Compound Name2-amino-3-(4-hydroxycyclohexyl)-3-methoxypropanoic acid
PubChem CID167112921
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Name2-amino-3-(4-hydroxycyclohexyl)-3-methoxypropanoic acid
SMILESCOC(C1CCC(O)CC1)C(N)C(=O)O
InChIInChI=1S/C10H19NO4/c1-15-9(8(11)10(13)14)6-2-4-7(12)5-3-6/h6-9,12H,2-5,11H2,1H3,(H,13,14)
InChIKeyRUVMOBJYCCSNBT-UHFFFAOYSA-N
XLogP-0.04
TPSA92.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 5-0.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(4-hydroxycyclohexyl)-2-(methylamino)acetate
CID 58137906
2-(4-hydroxycyclohexyl)propanamide
CID 90285777
2,4-diamino-3-methoxy-4-oxobutanoic acid
CID 170163602
cyclopropanol;2-methylpropanoic acid
CID 174792699
1-cyclobutyl-2-cyclopropyl-2-methoxyethanamine
CID 116722033
2-[(4-amino-3-methoxybutanoyl)amino]-2-cyclopropylacetic acid
CID 103155791
methyl (2S)-2-amino-3,3-dicyclopropylpropanoate;hydrochloride
CID 168869066
2-(4-hydroxycyclohexyl)but-3-enoic acid
CID 154996229
4-propan-2-ylcyclohexan-1-ol
CID 159817143
(2S)-3-(4-hydroxycyclohexyl)-2-methylpropanoic acid
CID 99962556
2-amino-3-methylbutanoic acid;methylcyclopropane
CID 66778248
4-(1-aminopropyl)cyclohexan-1-ol
CID 116941798

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(4-hydroxycyclohexyl)-3-methoxypropanoic acid?
The IUPAC name of 2-amino-3-(4-hydroxycyclohexyl)-3-methoxypropanoic acid (CID 167112921) is 2-amino-3-(4-hydroxycyclohexyl)-3-methoxypropanoic acid.
What is the SMILES notation for 2-amino-3-(4-hydroxycyclohexyl)-3-methoxypropanoic acid?
The canonical SMILES for 2-amino-3-(4-hydroxycyclohexyl)-3-methoxypropanoic acid is COC(C1CCC(O)CC1)C(N)C(=O)O.
What is the InChIKey of 2-amino-3-(4-hydroxycyclohexyl)-3-methoxypropanoic acid?
The InChIKey is RUVMOBJYCCSNBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-15-9(8(11)10(13)14)6-2-4-7(12)5-3-6/h6-9,12H,2-5,11H2,1H3,(H,13,14).
What are the key properties of 2-amino-3-(4-hydroxycyclohexyl)-3-methoxypropanoic acid?
2-amino-3-(4-hydroxycyclohexyl)-3-methoxypropanoic acid has a molecular weight of 217.26 g/mol, XLogP of -0.04, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(4-hydroxycyclohexyl)-3-methoxypropanoic acid is sourced from PubChem (CID 167112921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).