methyl 2-[(1-hydroxy-3-methoxypropan-2-yl)amino]propanoate

C8H17NO4 — CID 106187566

IUPACmethyl 2-[(1-hydroxy-3-methoxypropan-2-yl)amino]propanoate
SMILESCOCC(CO)NC(C)C(=O)OC
InChIInChI=1S/C8H17NO4/c1-6(8(11)13-3)9-7(4-10)5-12-2/h6-7,9-10H,4-5H2,1-3H3
InChIKeyCLKFIYNEQXBKCL-UHFFFAOYSA-N
MW191.23 g/mol
LogP-0.86
Rot. Bonds6

About methyl 2-[(1-hydroxy-3-methoxypropan-2-yl)amino]propanoate

methyl 2-[(1-hydroxy-3-methoxypropan-2-yl)amino]propanoate (PubChem CID 106187566) has the molecular formula C8H17NO4 and a molecular weight of 191.23 g/mol. Its IUPAC name is methyl 2-[(1-hydroxy-3-methoxypropan-2-yl)amino]propanoate.

Molecular Properties

Compound Namemethyl 2-[(1-hydroxy-3-methoxypropan-2-yl)amino]propanoate
PubChem CID106187566
Molecular FormulaC8H17NO4
Molecular Weight191.23 g/mol
Exact Mass191.12
IUPAC Namemethyl 2-[(1-hydroxy-3-methoxypropan-2-yl)amino]propanoate
SMILESCOCC(CO)NC(C)C(=O)OC
InChIInChI=1S/C8H17NO4/c1-6(8(11)13-3)9-7(4-10)5-12-2/h6-7,9-10H,4-5H2,1-3H3
InChIKeyCLKFIYNEQXBKCL-UHFFFAOYSA-N
XLogP-0.86
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 5-0.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 2-[(1-hydroxy-3-methoxypropan-2-yl)amino]propanoate 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

2-[(1-hydroxy-3-methoxypropan-2-yl)amino]-N-methylpropanamide
CID 106190418
N'-hydroxy-2-[(1-hydroxy-3-methoxypropan-2-yl)amino]propanimidamide
CID 106189728
2-[(1-hydroxy-3-methoxypropan-2-yl)amino]-N-(2-methylpropyl)propanamide
CID 106190666
(2S)-3-methoxy-2-(propan-2-ylamino)propan-1-ol
CID 130685651
3-[(1-hydroxy-3-methoxypropan-2-yl)amino]butanoic acid
CID 106190646
N-(ethylcarbamoyl)-2-[(1-hydroxy-3-methoxypropan-2-yl)amino]propanamide
CID 106190668
2-[(1-hydroxy-3-methoxypropan-2-yl)amino]butanoic acid
CID 106187891
methyl 2-[(1-hydroxy-3-phenylpropan-2-yl)amino]propanoate
CID 63261414
2-[(1-hydroxy-3-methoxypropan-2-yl)amino]pentanoic acid
CID 106190511
(2S)-2-(1,3-dihydroxypropan-2-ylamino)propanoic acid
CID 139900903
ethyl 3-[(1-hydroxy-3-methoxypropan-2-yl)amino]-2-methylpropanoate
CID 106190326
methyl (2S)-2-(heptan-3-ylamino)propanoate
CID 63944927

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1-hydroxy-3-methoxypropan-2-yl)amino]propanoate?
The IUPAC name of methyl 2-[(1-hydroxy-3-methoxypropan-2-yl)amino]propanoate (CID 106187566) is methyl 2-[(1-hydroxy-3-methoxypropan-2-yl)amino]propanoate.
What is the SMILES notation for methyl 2-[(1-hydroxy-3-methoxypropan-2-yl)amino]propanoate?
The canonical SMILES for methyl 2-[(1-hydroxy-3-methoxypropan-2-yl)amino]propanoate is COCC(CO)NC(C)C(=O)OC.
What is the InChIKey of methyl 2-[(1-hydroxy-3-methoxypropan-2-yl)amino]propanoate?
The InChIKey is CLKFIYNEQXBKCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO4/c1-6(8(11)13-3)9-7(4-10)5-12-2/h6-7,9-10H,4-5H2,1-3H3.
What are the key properties of methyl 2-[(1-hydroxy-3-methoxypropan-2-yl)amino]propanoate?
methyl 2-[(1-hydroxy-3-methoxypropan-2-yl)amino]propanoate has a molecular weight of 191.23 g/mol, XLogP of -0.86, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1-hydroxy-3-methoxypropan-2-yl)amino]propanoate is sourced from PubChem (CID 106187566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).