3-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-2-methylpropanoic acid

C10H20N2O3 — CID 62669365

IUPAC3-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-2-methylpropanoic acid
SMILESCC[C@H](C)[C@H](N)C(=O)NCC(C)C(=O)O
InChIInChI=1S/C10H20N2O3/c1-4-6(2)8(11)9(13)12-5-7(3)10(14)15/h6-8H,4-5,11H2,1-3H3,(H,12,13)(H,14,15)/t6-,7?,8-/m0/s1
InChIKeyIEPGWOSMXNJJFK-PPSBICQBSA-N
MW216.28 g/mol
LogP0.20
Rot. Bonds6

About 3-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-2-methylpropanoic acid

3-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-2-methylpropanoic acid (PubChem CID 62669365) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is 3-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-2-methylpropanoic acid
PubChem CID62669365
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name3-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-2-methylpropanoic acid
SMILESCC[C@H](C)[C@H](N)C(=O)NCC(C)C(=O)O
InChIInChI=1S/C10H20N2O3/c1-4-6(2)8(11)9(13)12-5-7(3)10(14)15/h6-8H,4-5,11H2,1-3H3,(H,12,13)(H,14,15)/t6-,7?,8-/m0/s1
InChIKeyIEPGWOSMXNJJFK-PPSBICQBSA-N
XLogP0.20
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 50.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-amino-3-methylpentanoyl)amino]-2-methylbutanoic acid
CID 80540178
ethyl 3-[(2-amino-3-methylpentanoyl)amino]-2-methylpropanoate
CID 119789263
2-[[[(2S,3S)-2-amino-3-methylpentanoyl]amino]methyl]butanoic acid
CID 65224036
(2S)-3-[[(2S)-2-amino-3-methylpentanoyl]amino]-2-hydroxypropanoic acid
CID 107835948
(2S,3S)-2-amino-N-[(2R)-2-hydroxypropyl]-3-methylpentanamide
CID 93083392
2-amino-3-methyl-N-(2-methylbutyl)pentanamide
CID 62693739
2-amino-N-(2,2-difluoroethyl)-3-methylpentanamide
CID 81489680
(2S)-2-amino-N-ethyl-3-methylpentanamide
CID 61172974
(2S,3S)-2-amino-N-(2-hydroxy-3-methylbutyl)-3-methylpentanamide
CID 103950762
(2S)-2-amino-N-(3-ethyl-2-hydroxypentyl)-3-methylpentanamide
CID 103833109
(2S)-4-[(2-amino-3-methylpentanoyl)amino]-2-hydroxybutanoic acid
CID 107836409
2-amino-N-(4-hydroxy-2-methylpentyl)-3-methylpentanamide;hydrochloride
CID 119799959

Frequently Asked Questions

What is the IUPAC name of 3-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-2-methylpropanoic acid?
The IUPAC name of 3-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-2-methylpropanoic acid (CID 62669365) is 3-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-2-methylpropanoic acid is CC[C@H](C)[C@H](N)C(=O)NCC(C)C(=O)O.
What is the InChIKey of 3-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-2-methylpropanoic acid?
The InChIKey is IEPGWOSMXNJJFK-PPSBICQBSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-4-6(2)8(11)9(13)12-5-7(3)10(14)15/h6-8H,4-5,11H2,1-3H3,(H,12,13)(H,14,15)/t6-,7?,8-/m0/s1.
What are the key properties of 3-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-2-methylpropanoic acid?
3-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-2-methylpropanoic acid has a molecular weight of 216.28 g/mol, XLogP of 0.20, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 62669365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).