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

C10H20N2O4 — CID 66175335

IUPAC3-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-2-hydroxy-2-methylpropanoic acid
SMILESCC[C@H](C)[C@H](N)C(=O)NCC(C)(O)C(=O)O
InChIInChI=1S/C10H20N2O4/c1-4-6(2)7(11)8(13)12-5-10(3,16)9(14)15/h6-7,16H,4-5,11H2,1-3H3,(H,12,13)(H,14,15)/t6-,7-,10?/m0/s1
InChIKeyPBCJIKWUXUAMRC-CKZABAASSA-N
MW232.28 g/mol
LogP-0.69
Rot. Bonds6

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

3-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-2-hydroxy-2-methylpropanoic acid (PubChem CID 66175335) has the molecular formula C10H20N2O4 and a molecular weight of 232.28 g/mol. Its IUPAC name is 3-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-2-hydroxy-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-2-hydroxy-2-methylpropanoic acid
PubChem CID66175335
Molecular FormulaC10H20N2O4
Molecular Weight232.28 g/mol
Exact Mass232.14
IUPAC Name3-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-2-hydroxy-2-methylpropanoic acid
SMILESCC[C@H](C)[C@H](N)C(=O)NCC(C)(O)C(=O)O
InChIInChI=1S/C10H20N2O4/c1-4-6(2)7(11)8(13)12-5-10(3,16)9(14)15/h6-7,16H,4-5,11H2,1-3H3,(H,12,13)(H,14,15)/t6-,7-,10?/m0/s1
InChIKeyPBCJIKWUXUAMRC-CKZABAASSA-N
XLogP-0.69
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 5-0.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 3-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-2-hydroxy-2-methylpropanoic acid with MolForge

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Related Compounds

(2S)-2-amino-N-ethyl-3-methylpentanamide
CID 61172974
2-amino-N-(2-ethyl-2-methylsulfanylbutyl)-3-methylpentanamide
CID 103812566
(2S)-2-amino-N-(2-ethyl-2-methylsulfanylbutyl)-3-methylpentanamide
CID 103833285
2-amino-3-methyl-N-(5,5,5-trifluoropentyl)pentanamide
CID 113327482
(2S)-2-amino-3-methyl-N-pentylpentanamide
CID 22690936
(2R)-2-[[(2S)-2-amino-3-methylpentanoyl]amino]-3,3-dimethylbutanoic acid
CID 103927168
(2S,3S)-2-amino-N-[2-(3-hydroxypropylsulfanyl)ethyl]-3-methylpentanamide
CID 103950558
(2S)-2-amino-N-(4-hydroxybutyl)-3-methylpentanamide
CID 87554780
(2S,3S)-2-amino-N-(2-hydroxy-3-methylbutyl)-3-methylpentanamide
CID 103950762
(2S)-2-amino-3-methyl-N-octadecylpentanamide
CID 58604652
3-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-2-methylpropanoic acid
CID 62669365
2-amino-3-methyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)pentanamide;hydrochloride
CID 119769283

Frequently Asked Questions

What is the IUPAC name of 3-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-2-hydroxy-2-methylpropanoic acid?
The IUPAC name of 3-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-2-hydroxy-2-methylpropanoic acid (CID 66175335) is 3-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-2-hydroxy-2-methylpropanoic acid.
What is the SMILES notation for 3-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-2-hydroxy-2-methylpropanoic acid?
The canonical SMILES for 3-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-2-hydroxy-2-methylpropanoic acid is CC[C@H](C)[C@H](N)C(=O)NCC(C)(O)C(=O)O.
What is the InChIKey of 3-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-2-hydroxy-2-methylpropanoic acid?
The InChIKey is PBCJIKWUXUAMRC-CKZABAASSA-N. The full InChI is InChI=1S/C10H20N2O4/c1-4-6(2)7(11)8(13)12-5-10(3,16)9(14)15/h6-7,16H,4-5,11H2,1-3H3,(H,12,13)(H,14,15)/t6-,7-,10?/m0/s1.
What are the key properties of 3-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-2-hydroxy-2-methylpropanoic acid?
3-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-2-hydroxy-2-methylpropanoic acid has a molecular weight of 232.28 g/mol, XLogP of -0.69, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-2-hydroxy-2-methylpropanoic acid is sourced from PubChem (CID 66175335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).