2-[(2-amino-2-methylpentanoyl)amino]-3-hydroxypropanoic acid

C9H18N2O4 — CID 61157022

IUPAC2-[(2-amino-2-methylpentanoyl)amino]-3-hydroxypropanoic acid
SMILESCCCC(C)(N)C(=O)NC(CO)C(=O)O
InChIInChI=1S/C9H18N2O4/c1-3-4-9(2,10)8(15)11-6(5-12)7(13)14/h6,12H,3-5,10H2,1-2H3,(H,11,15)(H,13,14)
InChIKeyDTBNZCHQIKPHQK-UHFFFAOYSA-N
MW218.25 g/mol
LogP-0.93
Rot. Bonds6

About 2-[(2-amino-2-methylpentanoyl)amino]-3-hydroxypropanoic acid

2-[(2-amino-2-methylpentanoyl)amino]-3-hydroxypropanoic acid (PubChem CID 61157022) has the molecular formula C9H18N2O4 and a molecular weight of 218.25 g/mol. Its IUPAC name is 2-[(2-amino-2-methylpentanoyl)amino]-3-hydroxypropanoic acid.

Molecular Properties

Compound Name2-[(2-amino-2-methylpentanoyl)amino]-3-hydroxypropanoic acid
PubChem CID61157022
Molecular FormulaC9H18N2O4
Molecular Weight218.25 g/mol
Exact Mass218.13
IUPAC Name2-[(2-amino-2-methylpentanoyl)amino]-3-hydroxypropanoic acid
SMILESCCCC(C)(N)C(=O)NC(CO)C(=O)O
InChIInChI=1S/C9H18N2O4/c1-3-4-9(2,10)8(15)11-6(5-12)7(13)14/h6,12H,3-5,10H2,1-2H3,(H,11,15)(H,13,14)
InChIKeyDTBNZCHQIKPHQK-UHFFFAOYSA-N
XLogP-0.93
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 5-0.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(2-amino-2-methylpentanoyl)amino]pentanoic acid
CID 103869776
(2R)-4-amino-2-[(2-amino-2-methylpentanoyl)amino]-4-oxobutanoic acid
CID 113342300
2-[(2-amino-2-methylpentanoyl)amino]propanoic acid
CID 61157718
(2S)-5-amino-2-[(2-amino-2-methylpentanoyl)amino]-5-oxopentanoic acid
CID 61159622
(2R)-2-[(3-amino-2,2,3-trimethylbutanoyl)amino]-3-hydroxypropanoic acid
CID 80750707
2-[(2-amino-2-methylbutanoyl)amino]pentanoic acid
CID 79805263
2-amino-N-(5,5-dimethylhexan-2-yl)-2-methylpentanamide
CID 119796586
2-[(2-amino-2-methylpentanoyl)amino]-2-phenylacetic acid
CID 61158432
(2R)-3-hydroxy-2-[[2-methyl-2-(methylamino)propanoyl]amino]propanoic acid
CID 80750284
(2R)-2-[(4-amino-4-methylpentanoyl)amino]-3-hydroxypropanoic acid
CID 80751277
2-amino-N-(1-hydroxy-3-phenylpropan-2-yl)-2-methylpentanamide
CID 63261623
(2R)-3-hydroxy-2-[(2-methyl-2-methylsulfonylpropanoyl)amino]propanoic acid
CID 80750513

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-methylpentanoyl)amino]-3-hydroxypropanoic acid?
The IUPAC name of 2-[(2-amino-2-methylpentanoyl)amino]-3-hydroxypropanoic acid (CID 61157022) is 2-[(2-amino-2-methylpentanoyl)amino]-3-hydroxypropanoic acid.
What is the SMILES notation for 2-[(2-amino-2-methylpentanoyl)amino]-3-hydroxypropanoic acid?
The canonical SMILES for 2-[(2-amino-2-methylpentanoyl)amino]-3-hydroxypropanoic acid is CCCC(C)(N)C(=O)NC(CO)C(=O)O.
What is the InChIKey of 2-[(2-amino-2-methylpentanoyl)amino]-3-hydroxypropanoic acid?
The InChIKey is DTBNZCHQIKPHQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O4/c1-3-4-9(2,10)8(15)11-6(5-12)7(13)14/h6,12H,3-5,10H2,1-2H3,(H,11,15)(H,13,14).
What are the key properties of 2-[(2-amino-2-methylpentanoyl)amino]-3-hydroxypropanoic acid?
2-[(2-amino-2-methylpentanoyl)amino]-3-hydroxypropanoic acid has a molecular weight of 218.25 g/mol, XLogP of -0.93, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-methylpentanoyl)amino]-3-hydroxypropanoic acid is sourced from PubChem (CID 61157022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).