2-[(2-aminobutanoylamino)methyl]butanoic acid

C9H18N2O3 — CID 65224441

IUPAC2-[(2-aminobutanoylamino)methyl]butanoic acid
SMILESCCC(N)C(=O)NCC(CC)C(=O)O
InChIInChI=1S/C9H18N2O3/c1-3-6(9(13)14)5-11-8(12)7(10)4-2/h6-7H,3-5,10H2,1-2H3,(H,11,12)(H,13,14)
InChIKeyRJGNWRNIFNNTDW-UHFFFAOYSA-N
MW202.25 g/mol
LogP-0.05
Rot. Bonds6

About 2-[(2-aminobutanoylamino)methyl]butanoic acid

2-[(2-aminobutanoylamino)methyl]butanoic acid (PubChem CID 65224441) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is 2-[(2-aminobutanoylamino)methyl]butanoic acid.

Molecular Properties

Compound Name2-[(2-aminobutanoylamino)methyl]butanoic acid
PubChem CID65224441
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Name2-[(2-aminobutanoylamino)methyl]butanoic acid
SMILESCCC(N)C(=O)NCC(CC)C(=O)O
InChIInChI=1S/C9H18N2O3/c1-3-6(9(13)14)5-11-8(12)7(10)4-2/h6-7H,3-5,10H2,1-2H3,(H,11,12)(H,13,14)
InChIKeyRJGNWRNIFNNTDW-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

2-[[[(2R)-2-aminopropanoyl]amino]methyl]butanoic acid
CID 65224335
2-[[(2,4-diamino-4-oxobutanoyl)amino]methyl]butanoic acid
CID 65224539
2-[[[(2S,3S)-2-amino-3-methylpentanoyl]amino]methyl]butanoic acid
CID 65224036
2-[[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]methyl]butanoic acid
CID 65224541
4-(2-aminobutanoylamino)-2-methylbutanoic acid
CID 80539879
(2R)-2-amino-N-(3-methyl-2-propan-2-ylbutyl)butanamide
CID 102905937
2-[[2-(aminomethyl)butanoylamino]methyl]-4,4-dimethylpentanoic acid
CID 107475516
2-[[(2-amino-5-methoxypentanoyl)amino]methyl]pentanoic acid
CID 81101109
(2R)-2-amino-N-(2-methylsulfanylpropyl)butanamide
CID 104861437
2-[(2-ethylhexanoylamino)methyl]pentanoic acid
CID 65218605
4-(2-aminobutanoylamino)-3-methoxybutanoic acid
CID 103157192
2-[[[(2S)-2-amino-3-phenylpropanoyl]amino]methyl]pentanoic acid
CID 65223842

Frequently Asked Questions

What is the IUPAC name of 2-[(2-aminobutanoylamino)methyl]butanoic acid?
The IUPAC name of 2-[(2-aminobutanoylamino)methyl]butanoic acid (CID 65224441) is 2-[(2-aminobutanoylamino)methyl]butanoic acid.
What is the SMILES notation for 2-[(2-aminobutanoylamino)methyl]butanoic acid?
The canonical SMILES for 2-[(2-aminobutanoylamino)methyl]butanoic acid is CCC(N)C(=O)NCC(CC)C(=O)O.
What is the InChIKey of 2-[(2-aminobutanoylamino)methyl]butanoic acid?
The InChIKey is RJGNWRNIFNNTDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-3-6(9(13)14)5-11-8(12)7(10)4-2/h6-7H,3-5,10H2,1-2H3,(H,11,12)(H,13,14).
What are the key properties of 2-[(2-aminobutanoylamino)methyl]butanoic acid?
2-[(2-aminobutanoylamino)methyl]butanoic 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 2-[(2-aminobutanoylamino)methyl]butanoic acid is sourced from PubChem (CID 65224441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).