2-[(4-amino-2-oxobutyl)amino]butanoic acid

C8H16N2O3 — CID 151724427

IUPAC2-[(4-amino-2-oxobutyl)amino]butanoic acid
SMILESCCC(NCC(=O)CCN)C(=O)O
InChIInChI=1S/C8H16N2O3/c1-2-7(8(12)13)10-5-6(11)3-4-9/h7,10H,2-5,9H2,1H3,(H,12,13)
InChIKeyRJGROICJTWCHSW-UHFFFAOYSA-N
MW188.23 g/mol
LogP-0.64
Rot. Bonds7

About 2-[(4-amino-2-oxobutyl)amino]butanoic acid

2-[(4-amino-2-oxobutyl)amino]butanoic acid (PubChem CID 151724427) has the molecular formula C8H16N2O3 and a molecular weight of 188.23 g/mol. Its IUPAC name is 2-[(4-amino-2-oxobutyl)amino]butanoic acid.

Molecular Properties

Compound Name2-[(4-amino-2-oxobutyl)amino]butanoic acid
PubChem CID151724427
Molecular FormulaC8H16N2O3
Molecular Weight188.23 g/mol
Exact Mass188.12
IUPAC Name2-[(4-amino-2-oxobutyl)amino]butanoic acid
SMILESCCC(NCC(=O)CCN)C(=O)O
InChIInChI=1S/C8H16N2O3/c1-2-7(8(12)13)10-5-6(11)3-4-9/h7,10H,2-5,9H2,1H3,(H,12,13)
InChIKeyRJGROICJTWCHSW-UHFFFAOYSA-N
XLogP-0.64
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 5-0.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-methoxy-2-oxoethyl)amino]butanoic acid
CID 64667124
(2S)-4-amino-2-(ethylamino)butanoic acid
CID 89433986
(2S)-2-amino-4-[[(1S)-1-carboxy-3-[[(1S)-1-carboxypropyl]amino]propyl]amino]butanoic acid
CID 87413291
2-(2-aminoethylamino)butanamide
CID 62900229
(2S)-2-(2-methylpropylamino)butanoic acid
CID 149001158
(2R)-5-amino-2-(ethylamino)pentanoic acid
CID 143752846
(2S)-2-(3-aminopropanoylamino)hexanoic acid
CID 22212413
2-amino-6-[(1-carboxy-2-sulfanylethyl)amino]-5-oxohexanoic acid
CID 118368268
(2S)-2-[(5-amino-4-methylpentanoyl)amino]butanoic acid
CID 82689262
(2S)-2-amino-6-[[(1R)-1-carboxy-2-sulfanylethyl]amino]-5-oxohexanoic acid
CID 118368269
6-amino-2-(ethylamino)hexanoic acid;dihydrochloride
CID 175594704
2-[(2-amino-1-methoxyethyl)amino]butanoic acid
CID 174519980

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-2-oxobutyl)amino]butanoic acid?
The IUPAC name of 2-[(4-amino-2-oxobutyl)amino]butanoic acid (CID 151724427) is 2-[(4-amino-2-oxobutyl)amino]butanoic acid.
What is the SMILES notation for 2-[(4-amino-2-oxobutyl)amino]butanoic acid?
The canonical SMILES for 2-[(4-amino-2-oxobutyl)amino]butanoic acid is CCC(NCC(=O)CCN)C(=O)O.
What is the InChIKey of 2-[(4-amino-2-oxobutyl)amino]butanoic acid?
The InChIKey is RJGROICJTWCHSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3/c1-2-7(8(12)13)10-5-6(11)3-4-9/h7,10H,2-5,9H2,1H3,(H,12,13).
What are the key properties of 2-[(4-amino-2-oxobutyl)amino]butanoic acid?
2-[(4-amino-2-oxobutyl)amino]butanoic acid has a molecular weight of 188.23 g/mol, XLogP of -0.64, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-2-oxobutyl)amino]butanoic acid is sourced from PubChem (CID 151724427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).