3-[(3-amino-3-methylbutanoyl)amino]-2-methylpropanoic acid

C9H18N2O3 — CID 64678333

IUPAC3-[(3-amino-3-methylbutanoyl)amino]-2-methylpropanoic acid
SMILESCC(CNC(=O)CC(C)(C)N)C(=O)O
InChIInChI=1S/C9H18N2O3/c1-6(8(13)14)5-11-7(12)4-9(2,3)10/h6H,4-5,10H2,1-3H3,(H,11,12)(H,13,14)
InChIKeyNSJFDESHZVIDRQ-UHFFFAOYSA-N
MW202.25 g/mol
LogP-0.05
Rot. Bonds5

About 3-[(3-amino-3-methylbutanoyl)amino]-2-methylpropanoic acid

3-[(3-amino-3-methylbutanoyl)amino]-2-methylpropanoic acid (PubChem CID 64678333) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is 3-[(3-amino-3-methylbutanoyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[(3-amino-3-methylbutanoyl)amino]-2-methylpropanoic acid
PubChem CID64678333
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Name3-[(3-amino-3-methylbutanoyl)amino]-2-methylpropanoic acid
SMILESCC(CNC(=O)CC(C)(C)N)C(=O)O
InChIInChI=1S/C9H18N2O3/c1-6(8(13)14)5-11-7(12)4-9(2,3)10/h6H,4-5,10H2,1-3H3,(H,11,12)(H,13,14)
InChIKeyNSJFDESHZVIDRQ-UHFFFAOYSA-N
XLogP-0.05
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 ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-aminoacetyl)amino]-2-methylpropanoic acid
CID 62675013
3-amino-N-(2,2-dimethoxyethyl)-3-methylbutanamide
CID 64679830
methyl 3-[(3-amino-3-methylbutanoyl)amino]-2-hydroxypropanoate
CID 107222707
(2S)-2-amino-5-[[(2R)-2-carboxypropyl]amino]-5-oxopentanoic acid
CID 163083327
3-[(2-methoxyacetyl)amino]-2-methylpropanoic acid
CID 62676002
4-amino-2,4-dimethylpentanoic acid
CID 20501045
2-methyl-3-[[2-(trifluoromethylsulfanyl)acetyl]amino]propanoic acid
CID 115731360
3-amino-3-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]butanamide
CID 64679060
3-amino-3-methyl-N-(7-methyloctyl)butanamide
CID 64677184
3-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]-2-methylpropanoic acid
CID 107472063
(2S)-2-[(3-amino-3-methylbutanoyl)amino]pentanedioic acid
CID 64677368
ethane;(2S)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 158437158

Frequently Asked Questions

What is the IUPAC name of 3-[(3-amino-3-methylbutanoyl)amino]-2-methylpropanoic acid?
The IUPAC name of 3-[(3-amino-3-methylbutanoyl)amino]-2-methylpropanoic acid (CID 64678333) is 3-[(3-amino-3-methylbutanoyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[(3-amino-3-methylbutanoyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[(3-amino-3-methylbutanoyl)amino]-2-methylpropanoic acid is CC(CNC(=O)CC(C)(C)N)C(=O)O.
What is the InChIKey of 3-[(3-amino-3-methylbutanoyl)amino]-2-methylpropanoic acid?
The InChIKey is NSJFDESHZVIDRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-6(8(13)14)5-11-7(12)4-9(2,3)10/h6H,4-5,10H2,1-3H3,(H,11,12)(H,13,14).
What are the key properties of 3-[(3-amino-3-methylbutanoyl)amino]-2-methylpropanoic acid?
3-[(3-amino-3-methylbutanoyl)amino]-2-methylpropanoic acid has a molecular weight of 202.25 g/mol, XLogP of -0.05, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-amino-3-methylbutanoyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 64678333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).