2-[(3-hydroxy-2-methylpropyl)amino]-3-methoxypropanoic acid

C8H17NO4 — CID 103253859

IUPAC2-[(3-hydroxy-2-methylpropyl)amino]-3-methoxypropanoic acid
SMILESCOCC(NCC(C)CO)C(=O)O
InChIInChI=1S/C8H17NO4/c1-6(4-10)3-9-7(5-13-2)8(11)12/h6-7,9-10H,3-5H2,1-2H3,(H,11,12)
InChIKeyXMYANEVSRNEAJK-UHFFFAOYSA-N
MW191.23 g/mol
LogP-0.70
Rot. Bonds7

About 2-[(3-hydroxy-2-methylpropyl)amino]-3-methoxypropanoic acid

2-[(3-hydroxy-2-methylpropyl)amino]-3-methoxypropanoic acid (PubChem CID 103253859) has the molecular formula C8H17NO4 and a molecular weight of 191.23 g/mol. Its IUPAC name is 2-[(3-hydroxy-2-methylpropyl)amino]-3-methoxypropanoic acid.

Molecular Properties

Compound Name2-[(3-hydroxy-2-methylpropyl)amino]-3-methoxypropanoic acid
PubChem CID103253859
Molecular FormulaC8H17NO4
Molecular Weight191.23 g/mol
Exact Mass191.12
IUPAC Name2-[(3-hydroxy-2-methylpropyl)amino]-3-methoxypropanoic acid
SMILESCOCC(NCC(C)CO)C(=O)O
InChIInChI=1S/C8H17NO4/c1-6(4-10)3-9-7(5-13-2)8(11)12/h6-7,9-10H,3-5H2,1-2H3,(H,11,12)
InChIKeyXMYANEVSRNEAJK-UHFFFAOYSA-N
XLogP-0.70
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 5-0.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[(3-hydroxy-2-methylpropyl)amino]-3-methoxypropanoic 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

(2S)-2-(ethylamino)-3-methoxypropanoic acid
CID 149367077
3-(1-methoxypropan-2-ylamino)-2-methylpropanoic acid
CID 43538400
3-methoxy-2-(2-propan-2-yloxyethylamino)propanoic acid
CID 103266484
3-methoxy-2-(2-methylsulfonylethylamino)propanoic acid
CID 103240234
2-(cyclopentylmethylamino)-3-methoxypropanoic acid
CID 103237734
3-[(3-hydroxy-2-methylpropyl)amino]-2-methylbutanoic acid
CID 79397684
3-methoxy-2-(4-methoxybutan-2-ylamino)propanoic acid
CID 103254849
3-hydroxy-2-(2-methylpropylamino)propanoic acid
CID 83635492
(2S)-2-[[3-[[(1S)-1,2-dicarboxyethyl]amino]-2-methylpropyl]amino]butanedioic acid
CID 18394492
2-[[4-(hydroxymethyl)phenyl]methylamino]-3-methoxypropanoic acid
CID 107232541
3-methoxy-2-[(2-oxo-2-piperidin-1-ylethyl)amino]propanoic acid
CID 103262728
methyl 3-[(3-hydroxy-2-methylpropyl)amino]-2-methylbutanoate
CID 79397828

Frequently Asked Questions

What is the IUPAC name of 2-[(3-hydroxy-2-methylpropyl)amino]-3-methoxypropanoic acid?
The IUPAC name of 2-[(3-hydroxy-2-methylpropyl)amino]-3-methoxypropanoic acid (CID 103253859) is 2-[(3-hydroxy-2-methylpropyl)amino]-3-methoxypropanoic acid.
What is the SMILES notation for 2-[(3-hydroxy-2-methylpropyl)amino]-3-methoxypropanoic acid?
The canonical SMILES for 2-[(3-hydroxy-2-methylpropyl)amino]-3-methoxypropanoic acid is COCC(NCC(C)CO)C(=O)O.
What is the InChIKey of 2-[(3-hydroxy-2-methylpropyl)amino]-3-methoxypropanoic acid?
The InChIKey is XMYANEVSRNEAJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO4/c1-6(4-10)3-9-7(5-13-2)8(11)12/h6-7,9-10H,3-5H2,1-2H3,(H,11,12).
What are the key properties of 2-[(3-hydroxy-2-methylpropyl)amino]-3-methoxypropanoic acid?
2-[(3-hydroxy-2-methylpropyl)amino]-3-methoxypropanoic acid has a molecular weight of 191.23 g/mol, XLogP of -0.70, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-hydroxy-2-methylpropyl)amino]-3-methoxypropanoic acid is sourced from PubChem (CID 103253859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).