2-[(4-hydroxy-1-methoxybutan-2-yl)amino]cyclobutane-1-carboxylic acid

C10H19NO4 — CID 106162234

IUPAC2-[(4-hydroxy-1-methoxybutan-2-yl)amino]cyclobutane-1-carboxylic acid
SMILESCOCC(CCO)NC1CCC1C(=O)O
InChIInChI=1S/C10H19NO4/c1-15-6-7(4-5-12)11-9-3-2-8(9)10(13)14/h7-9,11-12H,2-6H2,1H3,(H,13,14)
InChIKeySZUVEEHCWHPKEF-UHFFFAOYSA-N
MW217.26 g/mol
LogP-0.16
Rot. Bonds7

About 2-[(4-hydroxy-1-methoxybutan-2-yl)amino]cyclobutane-1-carboxylic acid

2-[(4-hydroxy-1-methoxybutan-2-yl)amino]cyclobutane-1-carboxylic acid (PubChem CID 106162234) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is 2-[(4-hydroxy-1-methoxybutan-2-yl)amino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(4-hydroxy-1-methoxybutan-2-yl)amino]cyclobutane-1-carboxylic acid
PubChem CID106162234
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Name2-[(4-hydroxy-1-methoxybutan-2-yl)amino]cyclobutane-1-carboxylic acid
SMILESCOCC(CCO)NC1CCC1C(=O)O
InChIInChI=1S/C10H19NO4/c1-15-6-7(4-5-12)11-9-3-2-8(9)10(13)14/h7-9,11-12H,2-6H2,1H3,(H,13,14)
InChIKeySZUVEEHCWHPKEF-UHFFFAOYSA-N
XLogP-0.16
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 5-0.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-hydroxypentan-3-ylamino)cyclobutane-1-carboxylic acid
CID 103267745
cis-(1S,2R)-2-[(4-hydroxy-1-methoxybutan-2-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 106155429
trans-(1R,2R)-2-[(4-hydroxy-1-methoxybutan-2-yl)amino]cyclopentan-1-ol
CID 106159498
2-[(3-methoxy-2-methylpropyl)amino]cyclobutane-1-carboxylic acid
CID 103245626
3-(azetidin-3-ylamino)-4-methoxybutan-1-ol
CID 106156395
methyl 2-cyclopropyl-2-[(4-hydroxy-1-methoxybutan-2-yl)amino]acetate
CID 106162253
2-(1-methoxypentan-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 64815427
2-(3-methoxypropylamino)cyclobutane-1-carboxylic acid
CID 103237165
2-(3-methylbutan-2-ylamino)cyclobutane-1-carboxylic acid
CID 103230437
2-(1-methoxybutan-2-ylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 64817719
2-cyclopentyl-N-(4-hydroxy-1-methoxybutan-2-yl)acetamide
CID 103799597
4-methoxy-3-[[4-(trifluoromethyl)cyclohexyl]amino]butan-1-ol
CID 104844749

Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxy-1-methoxybutan-2-yl)amino]cyclobutane-1-carboxylic acid?
The IUPAC name of 2-[(4-hydroxy-1-methoxybutan-2-yl)amino]cyclobutane-1-carboxylic acid (CID 106162234) is 2-[(4-hydroxy-1-methoxybutan-2-yl)amino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 2-[(4-hydroxy-1-methoxybutan-2-yl)amino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 2-[(4-hydroxy-1-methoxybutan-2-yl)amino]cyclobutane-1-carboxylic acid is COCC(CCO)NC1CCC1C(=O)O.
What is the InChIKey of 2-[(4-hydroxy-1-methoxybutan-2-yl)amino]cyclobutane-1-carboxylic acid?
The InChIKey is SZUVEEHCWHPKEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-15-6-7(4-5-12)11-9-3-2-8(9)10(13)14/h7-9,11-12H,2-6H2,1H3,(H,13,14).
What are the key properties of 2-[(4-hydroxy-1-methoxybutan-2-yl)amino]cyclobutane-1-carboxylic acid?
2-[(4-hydroxy-1-methoxybutan-2-yl)amino]cyclobutane-1-carboxylic acid has a molecular weight of 217.26 g/mol, XLogP of -0.16, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxy-1-methoxybutan-2-yl)amino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 106162234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).