4-amino-2-[(2-amino-3-hydroxypropanoyl)amino]-4-oxobutanoic acid

C7H13N3O5 — CID 13071897

IUPAC4-amino-2-[(2-amino-3-hydroxypropanoyl)amino]-4-oxobutanoic acid
SMILESNC(=O)CC(NC(=O)C(N)CO)C(=O)O
InChIInChI=1S/C7H13N3O5/c8-3(2-11)6(13)10-4(7(14)15)1-5(9)12/h3-4,11H,1-2,8H2,(H2,9,12)(H,10,13)(H,14,15)
InChIKeyLTFSLKWFMWZEBD-UHFFFAOYSA-N
MW219.20 g/mol
LogP-3.25
Rot. Bonds6

About 4-amino-2-[(2-amino-3-hydroxypropanoyl)amino]-4-oxobutanoic acid

4-amino-2-[(2-amino-3-hydroxypropanoyl)amino]-4-oxobutanoic acid (PubChem CID 13071897) has the molecular formula C7H13N3O5 and a molecular weight of 219.20 g/mol. Its IUPAC name is 4-amino-2-[(2-amino-3-hydroxypropanoyl)amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-amino-2-[(2-amino-3-hydroxypropanoyl)amino]-4-oxobutanoic acid
PubChem CID13071897
Molecular FormulaC7H13N3O5
Molecular Weight219.20 g/mol
Exact Mass219.09
IUPAC Name4-amino-2-[(2-amino-3-hydroxypropanoyl)amino]-4-oxobutanoic acid
SMILESNC(=O)CC(NC(=O)C(N)CO)C(=O)O
InChIInChI=1S/C7H13N3O5/c8-3(2-11)6(13)10-4(7(14)15)1-5(9)12/h3-4,11H,1-2,8H2,(H2,9,12)(H,10,13)(H,14,15)
InChIKeyLTFSLKWFMWZEBD-UHFFFAOYSA-N
XLogP-3.25
TPSA155.74 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 5-3.25
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[4-amino-2-[[2-[(2-amino-3-hydroxypropanoyl)amino]-3-hydroxypropanoyl]amino]-4-oxobutanoyl]amino]butanedioic acid
CID 18743143
5-[(3-amino-1-carboxy-3-oxopropyl)amino]-4-[[2-[(2-amino-3-hydroxypropanoyl)amino]-3-hydroxypropanoyl]amino]-5-oxopentanoic acid
CID 18743202
4-amino-2-[[4-amino-2-[[2-[(2-amino-3-hydroxypropanoyl)amino]-3-methylbutanoyl]amino]-4-oxobutanoyl]amino]-4-oxobutanoic acid
CID 18744739
(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-4-oxobutanoyl]amino]-3-hydroxypropanoyl]amino]butanedioic acid
CID 175735388
(2R)-4-amino-2-(2-aminobutanoylamino)-4-oxobutanoic acid
CID 103870245
(2R)-4-amino-2-[[(2S)-2-aminobutanoyl]amino]-4-oxobutanoic acid
CID 103870339
(2S)-4-amino-2-[[(2R)-2-aminobutanoyl]amino]-4-oxobutanoic acid
CID 103870179
2-[[2-[(2-amino-3-hydroxypropanoyl)amino]-3-hydroxypropanoyl]amino]butanedioic acid
CID 18224076
4-amino-2-[(2-amino-3-sulfanylpropanoyl)amino]-4-oxobutanoic acid
CID 18218192
4-amino-2-[[2-[[2-[(2-amino-3-hydroxypropanoyl)amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-4-oxobutanoic acid
CID 18742563
(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-amino-3-carboxypropanoyl]amino]-4-oxobutanoyl]amino]butanedioic acid
CID 25002196
4-amino-2-[[3-carboxy-2-[[3-carboxy-2-[(2,4-diamino-4-oxobutanoyl)amino]propanoyl]amino]propanoyl]amino]-4-oxobutanoic acid
CID 22653337

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[(2-amino-3-hydroxypropanoyl)amino]-4-oxobutanoic acid?
The IUPAC name of 4-amino-2-[(2-amino-3-hydroxypropanoyl)amino]-4-oxobutanoic acid (CID 13071897) is 4-amino-2-[(2-amino-3-hydroxypropanoyl)amino]-4-oxobutanoic acid.
What is the SMILES notation for 4-amino-2-[(2-amino-3-hydroxypropanoyl)amino]-4-oxobutanoic acid?
The canonical SMILES for 4-amino-2-[(2-amino-3-hydroxypropanoyl)amino]-4-oxobutanoic acid is NC(=O)CC(NC(=O)C(N)CO)C(=O)O.
What is the InChIKey of 4-amino-2-[(2-amino-3-hydroxypropanoyl)amino]-4-oxobutanoic acid?
The InChIKey is LTFSLKWFMWZEBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O5/c8-3(2-11)6(13)10-4(7(14)15)1-5(9)12/h3-4,11H,1-2,8H2,(H2,9,12)(H,10,13)(H,14,15).
What are the key properties of 4-amino-2-[(2-amino-3-hydroxypropanoyl)amino]-4-oxobutanoic acid?
4-amino-2-[(2-amino-3-hydroxypropanoyl)amino]-4-oxobutanoic acid has a molecular weight of 219.20 g/mol, XLogP of -3.25, 6 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[(2-amino-3-hydroxypropanoyl)amino]-4-oxobutanoic acid is sourced from PubChem (CID 13071897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).