methyl 3-[[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]amino]propanoate

C10H21NO3 — CID 90207576

IUPACmethyl 3-[[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]amino]propanoate
SMILESCC[C@H](C)[C@@H](CO)NCCC(=O)OC
InChIInChI=1S/C10H21NO3/c1-4-8(2)9(7-12)11-6-5-10(13)14-3/h8-9,11-12H,4-7H2,1-3H3/t8-,9+/m0/s1
InChIKeyJQNXJBODUAZDEI-DTWKUNHWSA-N
MW203.28 g/mol
LogP0.55
Rot. Bonds7

About methyl 3-[[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]amino]propanoate

methyl 3-[[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]amino]propanoate (PubChem CID 90207576) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is methyl 3-[[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]amino]propanoate
PubChem CID90207576
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Namemethyl 3-[[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]amino]propanoate
SMILESCC[C@H](C)[C@@H](CO)NCCC(=O)OC
InChIInChI=1S/C10H21NO3/c1-4-8(2)9(7-12)11-6-5-10(13)14-3/h8-9,11-12H,4-7H2,1-3H3/t8-,9+/m0/s1
InChIKeyJQNXJBODUAZDEI-DTWKUNHWSA-N
XLogP0.55
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 3-[[(2S,3S)-1-hydroxy-3-methylpentan-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

methyl 3-[[(2R,3R)-1,3-dihydroxybutan-2-yl]amino]propanoate
CID 90207580
methyl 3-(2-methylpentan-3-ylamino)propanoate
CID 43774714
methyl 3-(3-methylpentan-2-ylamino)propanoate
CID 43139672
ethyl 3-[(1-hydroxy-3-methylbutan-2-yl)amino]propanoate
CID 79250354
methyl (5S,6R)-5,6-dimethyloctanoate
CID 59216932
methyl 3-[[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-(3-methoxy-3-oxopropyl)amino]propanoate
CID 90208676
methyl 3-[[1-oxo-1-(pentan-3-ylamino)propan-2-yl]amino]propanoate
CID 60719528
N,N'-bis[(2S)-1-hydroxy-3-methylpentan-2-yl]oxamide
CID 11839005
2-[(1-hydroxy-3-methylpentan-2-yl)amino]acetaldehyde
CID 91339414
(1-hydroxy-3-methylpentan-2-yl)carbamic acid
CID 22242867
methyl 4-[(1-hydroxy-4-methylpentan-3-yl)amino]butanoate
CID 104891908
methyl 3-[[5-(dimethylamino)-4-methylpentan-2-yl]amino]propanoate
CID 174302940

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]amino]propanoate?
The IUPAC name of methyl 3-[[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]amino]propanoate (CID 90207576) is methyl 3-[[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]amino]propanoate.
What is the SMILES notation for methyl 3-[[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]amino]propanoate?
The canonical SMILES for methyl 3-[[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]amino]propanoate is CC[C@H](C)[C@@H](CO)NCCC(=O)OC.
What is the InChIKey of methyl 3-[[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]amino]propanoate?
The InChIKey is JQNXJBODUAZDEI-DTWKUNHWSA-N. The full InChI is InChI=1S/C10H21NO3/c1-4-8(2)9(7-12)11-6-5-10(13)14-3/h8-9,11-12H,4-7H2,1-3H3/t8-,9+/m0/s1.
What are the key properties of methyl 3-[[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]amino]propanoate?
methyl 3-[[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]amino]propanoate has a molecular weight of 203.28 g/mol, XLogP of 0.55, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]amino]propanoate is sourced from PubChem (CID 90207576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).