3-[(3-amino-2-methylpropanoyl)amino]butanoic acid

C8H16N2O3 — CID 62670881

IUPAC3-[(3-amino-2-methylpropanoyl)amino]butanoic acid
SMILESCC(CC(=O)O)NC(=O)C(C)CN
InChIInChI=1S/C8H16N2O3/c1-5(4-9)8(13)10-6(2)3-7(11)12/h5-6H,3-4,9H2,1-2H3,(H,10,13)(H,11,12)
InChIKeySGRUDUBXCQZMCO-UHFFFAOYSA-N
MW188.23 g/mol
LogP-0.44
Rot. Bonds5

About 3-[(3-amino-2-methylpropanoyl)amino]butanoic acid

3-[(3-amino-2-methylpropanoyl)amino]butanoic acid (PubChem CID 62670881) has the molecular formula C8H16N2O3 and a molecular weight of 188.23 g/mol. Its IUPAC name is 3-[(3-amino-2-methylpropanoyl)amino]butanoic acid.

Molecular Properties

Compound Name3-[(3-amino-2-methylpropanoyl)amino]butanoic acid
PubChem CID62670881
Molecular FormulaC8H16N2O3
Molecular Weight188.23 g/mol
Exact Mass188.12
IUPAC Name3-[(3-amino-2-methylpropanoyl)amino]butanoic acid
SMILESCC(CC(=O)O)NC(=O)C(C)CN
InChIInChI=1S/C8H16N2O3/c1-5(4-9)8(13)10-6(2)3-7(11)12/h5-6H,3-4,9H2,1-2H3,(H,10,13)(H,11,12)
InChIKeySGRUDUBXCQZMCO-UHFFFAOYSA-N
XLogP-0.44
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 5-0.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[(2R)-1-hydroxypropan-2-yl]-2-methylpropanamide
CID 107218503
3-[[(2R)-2-aminopropanoyl]amino]butanoic acid
CID 78973363
3-amino-4-(1-carboxypropan-2-ylamino)-4-oxobutanoic acid
CID 64895941
3-(2-aminobutanoylamino)butanoic acid
CID 61159852
3-amino-N-(1-hydroxybutan-2-yl)-2-methylpropanamide
CID 62668866
3-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]butanoic acid
CID 61161578
3-(2,3,3-trimethylbutanoylamino)butanoic acid
CID 119347954
methyl 2-[(3-amino-2-methylpropanoyl)amino]propanoate
CID 62669479
3-[(2-amino-3-methylpentanoyl)amino]butanoic acid
CID 61161973
4-[[3-carboxy-1-[[3-carboxy-1-[[3-carboxy-1-[[3-carboxy-1-(1-carboxypropan-2-ylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-oxo-3-(propanoylamino)butanoic acid
CID 177200663
3-(2-prop-2-enylpent-4-enoylamino)butanoic acid
CID 119347682
2-[(3-amino-2-methylpropanoyl)amino]-3-methylpentanoic acid
CID 62669281

Frequently Asked Questions

What is the IUPAC name of 3-[(3-amino-2-methylpropanoyl)amino]butanoic acid?
The IUPAC name of 3-[(3-amino-2-methylpropanoyl)amino]butanoic acid (CID 62670881) is 3-[(3-amino-2-methylpropanoyl)amino]butanoic acid.
What is the SMILES notation for 3-[(3-amino-2-methylpropanoyl)amino]butanoic acid?
The canonical SMILES for 3-[(3-amino-2-methylpropanoyl)amino]butanoic acid is CC(CC(=O)O)NC(=O)C(C)CN.
What is the InChIKey of 3-[(3-amino-2-methylpropanoyl)amino]butanoic acid?
The InChIKey is SGRUDUBXCQZMCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3/c1-5(4-9)8(13)10-6(2)3-7(11)12/h5-6H,3-4,9H2,1-2H3,(H,10,13)(H,11,12).
What are the key properties of 3-[(3-amino-2-methylpropanoyl)amino]butanoic acid?
3-[(3-amino-2-methylpropanoyl)amino]butanoic acid has a molecular weight of 188.23 g/mol, XLogP of -0.44, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-amino-2-methylpropanoyl)amino]butanoic acid is sourced from PubChem (CID 62670881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).