2-[(2-amino-2-methylpentanoyl)amino]propanoic acid

C9H18N2O3 — CID 61157718

IUPAC2-[(2-amino-2-methylpentanoyl)amino]propanoic acid
SMILESCCCC(C)(N)C(=O)NC(C)C(=O)O
InChIInChI=1S/C9H18N2O3/c1-4-5-9(3,10)8(14)11-6(2)7(12)13/h6H,4-5,10H2,1-3H3,(H,11,14)(H,12,13)
InChIKeyRGHXHFALEPSENZ-UHFFFAOYSA-N
MW202.25 g/mol
LogP0.09
Rot. Bonds5

About 2-[(2-amino-2-methylpentanoyl)amino]propanoic acid

2-[(2-amino-2-methylpentanoyl)amino]propanoic acid (PubChem CID 61157718) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is 2-[(2-amino-2-methylpentanoyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[(2-amino-2-methylpentanoyl)amino]propanoic acid
PubChem CID61157718
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Name2-[(2-amino-2-methylpentanoyl)amino]propanoic acid
SMILESCCCC(C)(N)C(=O)NC(C)C(=O)O
InChIInChI=1S/C9H18N2O3/c1-4-5-9(3,10)8(14)11-6(2)7(12)13/h6H,4-5,10H2,1-3H3,(H,11,14)(H,12,13)
InChIKeyRGHXHFALEPSENZ-UHFFFAOYSA-N
XLogP0.09
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 50.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-amino-2-methylpentanoyl)amino]-3-hydroxypropanoic acid
CID 61157022
(2S)-2-[(2-amino-2-methylpentanoyl)amino]pentanoic acid
CID 103869776
2-amino-N-(5,5-dimethylhexan-2-yl)-2-methylpentanamide
CID 119796586
(2R)-4-amino-2-[(2-amino-2-methylpentanoyl)amino]-4-oxobutanoic acid
CID 113342300
(2S)-2-[(2-amino-2-methylpropanoyl)amino]propanoic acid
CID 54118919
2-amino-N-(1-amino-3-methyl-1-oxobutan-2-yl)-2-methylpentanamide
CID 106345053
methyl 2-[(2-amino-2-methylpentanoyl)amino]-3-methylpentanoate
CID 54928348
2-[(2-amino-2-methylpentanoyl)amino]-2-phenylacetic acid
CID 61158432
(2R)-2-amino-2-methyl-N-[(1R)-1-phenylethyl]pentanamide
CID 93340243
(2S)-5-amino-2-[(2-amino-2-methylpentanoyl)amino]-5-oxopentanoic acid
CID 61159622
2-amino-N-[1-(benzylamino)-1-oxopropan-2-yl]-2-methylpentanamide;hydrochloride
CID 119750998
2-amino-2-methyl-N-(6-methylheptan-2-yl)pentanamide;hydrochloride
CID 119673366

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-methylpentanoyl)amino]propanoic acid?
The IUPAC name of 2-[(2-amino-2-methylpentanoyl)amino]propanoic acid (CID 61157718) is 2-[(2-amino-2-methylpentanoyl)amino]propanoic acid.
What is the SMILES notation for 2-[(2-amino-2-methylpentanoyl)amino]propanoic acid?
The canonical SMILES for 2-[(2-amino-2-methylpentanoyl)amino]propanoic acid is CCCC(C)(N)C(=O)NC(C)C(=O)O.
What is the InChIKey of 2-[(2-amino-2-methylpentanoyl)amino]propanoic acid?
The InChIKey is RGHXHFALEPSENZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-4-5-9(3,10)8(14)11-6(2)7(12)13/h6H,4-5,10H2,1-3H3,(H,11,14)(H,12,13).
What are the key properties of 2-[(2-amino-2-methylpentanoyl)amino]propanoic acid?
2-[(2-amino-2-methylpentanoyl)amino]propanoic acid has a molecular weight of 202.25 g/mol, XLogP of 0.09, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-methylpentanoyl)amino]propanoic acid is sourced from PubChem (CID 61157718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).