methyl (2S)-2-[[(2S)-2-hydroxypentanoyl]amino]-4-methylpentanoate

C12H23NO4 — CID 58691175

IUPACmethyl (2S)-2-[[(2S)-2-hydroxypentanoyl]amino]-4-methylpentanoate
SMILESCCC[C@H](O)C(=O)N[C@@H](CC(C)C)C(=O)OC
InChIInChI=1S/C12H23NO4/c1-5-6-10(14)11(15)13-9(7-8(2)3)12(16)17-4/h8-10,14H,5-7H2,1-4H3,(H,13,15)/t9-,10-/m0/s1
InChIKeyNTCOGBHBNOSWCF-UWVGGRQHSA-N
MW245.32 g/mol
LogP0.85
Rot. Bonds7

About methyl (2S)-2-[[(2S)-2-hydroxypentanoyl]amino]-4-methylpentanoate

methyl (2S)-2-[[(2S)-2-hydroxypentanoyl]amino]-4-methylpentanoate (PubChem CID 58691175) has the molecular formula C12H23NO4 and a molecular weight of 245.32 g/mol. Its IUPAC name is methyl (2S)-2-[[(2S)-2-hydroxypentanoyl]amino]-4-methylpentanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[[(2S)-2-hydroxypentanoyl]amino]-4-methylpentanoate
PubChem CID58691175
Molecular FormulaC12H23NO4
Molecular Weight245.32 g/mol
Exact Mass245.16
IUPAC Namemethyl (2S)-2-[[(2S)-2-hydroxypentanoyl]amino]-4-methylpentanoate
SMILESCCC[C@H](O)C(=O)N[C@@H](CC(C)C)C(=O)OC
InChIInChI=1S/C12H23NO4/c1-5-6-10(14)11(15)13-9(7-8(2)3)12(16)17-4/h8-10,14H,5-7H2,1-4H3,(H,13,15)/t9-,10-/m0/s1
InChIKeyNTCOGBHBNOSWCF-UWVGGRQHSA-N
XLogP0.85
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl (2S)-2-[[(2S)-2-hydroxypentanoyl]amino]-4-methylpentanoate 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 (2R)-2-[[(2S)-2-aminopentanoyl]amino]-4-methylpentanoate
CID 170220008
methyl (2S)-2-[[(2S)-3-amino-2-hydroxypropanoyl]amino]-4-methylpentanoate
CID 129012241
methyl 2-(2-hydroxypropanoylamino)-4-methylpentanoate
CID 85353030
methyl (2R)-2-[(2,2-dichloroacetyl)amino]-4-methylpentanoate
CID 2287365
methyl 2-[[(2S)-2,4-dimethylpentanoyl]amino]butanoate
CID 170397026
methyl (2S)-2-[[(2S)-3-hydroxy-2-methylpropanoyl]amino]-4-methylpentanoate
CID 159698118
methyl 2-[(2-amino-4-methylpentanoyl)amino]-4-methylpentanoate
CID 5159380
methyl (2S)-2-[[(2R)-2-methylpentanoyl]amino]pentanoate
CID 59054765
methyl 2-(2-butylsulfanylpropanoylamino)-4-methylpentanoate
CID 134037896
methyl (2S)-2-[[(2S)-2-[[(2S)-1-[[(2S)-1-methoxy-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]sulfamoylamino]-4-methylpentanoyl]amino]-4-methylpentanoate
CID 139051832
methyl (2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-methylpentanoate;hydrochloride
CID 15598024
methyl (2S)-2-[(5-amino-2-methylpentanoyl)amino]-4-methylpentanoate
CID 104685550

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[[(2S)-2-hydroxypentanoyl]amino]-4-methylpentanoate?
The IUPAC name of methyl (2S)-2-[[(2S)-2-hydroxypentanoyl]amino]-4-methylpentanoate (CID 58691175) is methyl (2S)-2-[[(2S)-2-hydroxypentanoyl]amino]-4-methylpentanoate.
What is the SMILES notation for methyl (2S)-2-[[(2S)-2-hydroxypentanoyl]amino]-4-methylpentanoate?
The canonical SMILES for methyl (2S)-2-[[(2S)-2-hydroxypentanoyl]amino]-4-methylpentanoate is CCC[C@H](O)C(=O)N[C@@H](CC(C)C)C(=O)OC.
What is the InChIKey of methyl (2S)-2-[[(2S)-2-hydroxypentanoyl]amino]-4-methylpentanoate?
The InChIKey is NTCOGBHBNOSWCF-UWVGGRQHSA-N. The full InChI is InChI=1S/C12H23NO4/c1-5-6-10(14)11(15)13-9(7-8(2)3)12(16)17-4/h8-10,14H,5-7H2,1-4H3,(H,13,15)/t9-,10-/m0/s1.
What are the key properties of methyl (2S)-2-[[(2S)-2-hydroxypentanoyl]amino]-4-methylpentanoate?
methyl (2S)-2-[[(2S)-2-hydroxypentanoyl]amino]-4-methylpentanoate has a molecular weight of 245.32 g/mol, XLogP of 0.85, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[[(2S)-2-hydroxypentanoyl]amino]-4-methylpentanoate is sourced from PubChem (CID 58691175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).