2-hydroxy-3-(1-methoxypropan-2-ylamino)-2-methylpropanoic acid

C8H17NO4 — CID 104643638

IUPAC2-hydroxy-3-(1-methoxypropan-2-ylamino)-2-methylpropanoic acid
SMILESCOCC(C)NCC(C)(O)C(=O)O
InChIInChI=1S/C8H17NO4/c1-6(4-13-3)9-5-8(2,12)7(10)11/h6,9,12H,4-5H2,1-3H3,(H,10,11)
InChIKeyFJPLNSHYRBZWAI-UHFFFAOYSA-N
MW191.23 g/mol
LogP-0.55
Rot. Bonds6

About 2-hydroxy-3-(1-methoxypropan-2-ylamino)-2-methylpropanoic acid

2-hydroxy-3-(1-methoxypropan-2-ylamino)-2-methylpropanoic acid (PubChem CID 104643638) has the molecular formula C8H17NO4 and a molecular weight of 191.23 g/mol. Its IUPAC name is 2-hydroxy-3-(1-methoxypropan-2-ylamino)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-hydroxy-3-(1-methoxypropan-2-ylamino)-2-methylpropanoic acid
PubChem CID104643638
Molecular FormulaC8H17NO4
Molecular Weight191.23 g/mol
Exact Mass191.12
IUPAC Name2-hydroxy-3-(1-methoxypropan-2-ylamino)-2-methylpropanoic acid
SMILESCOCC(C)NCC(C)(O)C(=O)O
InChIInChI=1S/C8H17NO4/c1-6(4-13-3)9-5-8(2,12)7(10)11/h6,9,12H,4-5H2,1-3H3,(H,10,11)
InChIKeyFJPLNSHYRBZWAI-UHFFFAOYSA-N
XLogP-0.55
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 5-0.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-hydroxy-3-(1-methoxypropan-2-ylamino)-2-methylpropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-hydroxy-3-(1-methoxypropan-2-ylamino)-2-methylpropanoate
CID 104643639
2-hydroxy-3-[(1-methoxy-3-methylbutan-2-yl)amino]-2-methylpropanoic acid
CID 104644611
2-hydroxy-2-methyl-3-(4-methylhexan-2-ylamino)propanoic acid
CID 104644649
2-hydroxy-3-[(1-hydroxy-3-methylbutan-2-yl)amino]-2-methylpropanoic acid
CID 104644711
2-hydroxy-2-methyl-3-(2-methylpentan-3-ylamino)propanoic acid
CID 104644167
N-(1-methoxypropan-2-yl)-2,2-dimethylbutan-1-amine
CID 103460407
(2S)-1-methoxy-N-(2,2,2-trifluoroethyl)propan-2-amine
CID 28571144
3-(1-methoxypropan-2-ylamino)-2-methylpropanoic acid
CID 43538400
methyl 2-hydroxy-3-(5-hydroxypentan-2-ylamino)-2-methylpropanoate
CID 104644757
2-hydroxy-3-(3-methoxypropanoylamino)-2-methylpropanoic acid
CID 66172346
methyl 2-hydroxy-2-methyl-3-(pentan-2-ylamino)propanoate
CID 104643624
methyl 2-hydroxy-3-(4-hydroxybutan-2-ylamino)-2-methylpropanoate
CID 104644967

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-(1-methoxypropan-2-ylamino)-2-methylpropanoic acid?
The IUPAC name of 2-hydroxy-3-(1-methoxypropan-2-ylamino)-2-methylpropanoic acid (CID 104643638) is 2-hydroxy-3-(1-methoxypropan-2-ylamino)-2-methylpropanoic acid.
What is the SMILES notation for 2-hydroxy-3-(1-methoxypropan-2-ylamino)-2-methylpropanoic acid?
The canonical SMILES for 2-hydroxy-3-(1-methoxypropan-2-ylamino)-2-methylpropanoic acid is COCC(C)NCC(C)(O)C(=O)O.
What is the InChIKey of 2-hydroxy-3-(1-methoxypropan-2-ylamino)-2-methylpropanoic acid?
The InChIKey is FJPLNSHYRBZWAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO4/c1-6(4-13-3)9-5-8(2,12)7(10)11/h6,9,12H,4-5H2,1-3H3,(H,10,11).
What are the key properties of 2-hydroxy-3-(1-methoxypropan-2-ylamino)-2-methylpropanoic acid?
2-hydroxy-3-(1-methoxypropan-2-ylamino)-2-methylpropanoic acid has a molecular weight of 191.23 g/mol, XLogP of -0.55, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-(1-methoxypropan-2-ylamino)-2-methylpropanoic acid is sourced from PubChem (CID 104643638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).