4-(2-aminobutanoylamino)-2-methylbutanoic acid

C9H18N2O3 — CID 80539879

IUPAC4-(2-aminobutanoylamino)-2-methylbutanoic acid
SMILESCCC(N)C(=O)NCCC(C)C(=O)O
InChIInChI=1S/C9H18N2O3/c1-3-7(10)8(12)11-5-4-6(2)9(13)14/h6-7H,3-5,10H2,1-2H3,(H,11,12)(H,13,14)
InChIKeySRGYYJMOGQOINS-UHFFFAOYSA-N
MW202.25 g/mol
LogP-0.05
Rot. Bonds6

About 4-(2-aminobutanoylamino)-2-methylbutanoic acid

4-(2-aminobutanoylamino)-2-methylbutanoic acid (PubChem CID 80539879) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is 4-(2-aminobutanoylamino)-2-methylbutanoic acid.

Molecular Properties

Compound Name4-(2-aminobutanoylamino)-2-methylbutanoic acid
PubChem CID80539879
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Name4-(2-aminobutanoylamino)-2-methylbutanoic acid
SMILESCCC(N)C(=O)NCCC(C)C(=O)O
InChIInChI=1S/C9H18N2O3/c1-3-7(10)8(12)11-5-4-6(2)9(13)14/h6-7H,3-5,10H2,1-2H3,(H,11,12)(H,13,14)
InChIKeySRGYYJMOGQOINS-UHFFFAOYSA-N
XLogP-0.05
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
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

4-[(2-amino-3-methylpentanoyl)amino]-2-methylbutanoic acid
CID 80540178
5-[[(2R)-2-aminopentanoyl]amino]-2-methylpentanoic acid
CID 103870686
2-[(2-aminobutanoylamino)methyl]butanoic acid
CID 65224441
2-amino-N-(3-methylsulfinylbutyl)butanamide
CID 115734815
4-[2-(aminomethyl)pentanoylamino]-2-methylbutanoic acid
CID 80539749
4-(carbamothioylamino)-2-methylbutanoic acid
CID 88920180
4-[[(2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoyl]amino]-2-methylbutanoic acid
CID 80537759
2-amino-N-(3-amino-3-oxopropyl)butanamide
CID 43649631
4-(methoxycarbonylamino)-2-methylbutanoic acid
CID 80540364
(2R)-2-[[(2S)-2-aminobutanoyl]amino]pentanoic acid
CID 103869979
4-(ethylamino)-2-methylbutanoic acid
CID 54099328
2-amino-N-but-2-ynylbutanamide
CID 115976942

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminobutanoylamino)-2-methylbutanoic acid?
The IUPAC name of 4-(2-aminobutanoylamino)-2-methylbutanoic acid (CID 80539879) is 4-(2-aminobutanoylamino)-2-methylbutanoic acid.
What is the SMILES notation for 4-(2-aminobutanoylamino)-2-methylbutanoic acid?
The canonical SMILES for 4-(2-aminobutanoylamino)-2-methylbutanoic acid is CCC(N)C(=O)NCCC(C)C(=O)O.
What is the InChIKey of 4-(2-aminobutanoylamino)-2-methylbutanoic acid?
The InChIKey is SRGYYJMOGQOINS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-3-7(10)8(12)11-5-4-6(2)9(13)14/h6-7H,3-5,10H2,1-2H3,(H,11,12)(H,13,14).
What are the key properties of 4-(2-aminobutanoylamino)-2-methylbutanoic acid?
4-(2-aminobutanoylamino)-2-methylbutanoic acid has a molecular weight of 202.25 g/mol, XLogP of -0.05, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminobutanoylamino)-2-methylbutanoic acid is sourced from PubChem (CID 80539879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).