3-[(2,4-diamino-4-oxobutanoyl)amino]-2-hydroxypropanoic acid

C7H13N3O5 — CID 66168013

IUPAC3-[(2,4-diamino-4-oxobutanoyl)amino]-2-hydroxypropanoic acid
SMILESNC(=O)CC(N)C(=O)NCC(O)C(=O)O
InChIInChI=1S/C7H13N3O5/c8-3(1-5(9)12)6(13)10-2-4(11)7(14)15/h3-4,11H,1-2,8H2,(H2,9,12)(H,10,13)(H,14,15)
InChIKeyXMVMAGQPXCDDHG-UHFFFAOYSA-N
MW219.20 g/mol
LogP-3.25
Rot. Bonds6

About 3-[(2,4-diamino-4-oxobutanoyl)amino]-2-hydroxypropanoic acid

3-[(2,4-diamino-4-oxobutanoyl)amino]-2-hydroxypropanoic acid (PubChem CID 66168013) has the molecular formula C7H13N3O5 and a molecular weight of 219.20 g/mol. Its IUPAC name is 3-[(2,4-diamino-4-oxobutanoyl)amino]-2-hydroxypropanoic acid.

Molecular Properties

Compound Name3-[(2,4-diamino-4-oxobutanoyl)amino]-2-hydroxypropanoic acid
PubChem CID66168013
Molecular FormulaC7H13N3O5
Molecular Weight219.20 g/mol
Exact Mass219.09
IUPAC Name3-[(2,4-diamino-4-oxobutanoyl)amino]-2-hydroxypropanoic acid
SMILESNC(=O)CC(N)C(=O)NCC(O)C(=O)O
InChIInChI=1S/C7H13N3O5/c8-3(1-5(9)12)6(13)10-2-4(11)7(14)15/h3-4,11H,1-2,8H2,(H2,9,12)(H,10,13)(H,14,15)
InChIKeyXMVMAGQPXCDDHG-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-amino-N-(2,2-dihydroxyethyl)butanediamide
CID 154111575
2-[[(2,4-diamino-4-oxobutanoyl)amino]methyl]butanoic acid
CID 65224539
2-[[(2,4-diamino-4-oxobutanoyl)amino]methyl]-3-methylbutanoic acid
CID 65224533
2-amino-N-(2-cyclopropyl-2-hydroxyethyl)butanediamide
CID 63296967
2-amino-N-(2-methylbutyl)butanediamide
CID 62692665
2-amino-N-(3-hydroxybutyl)butanediamide
CID 64912890
(2S)-3-[[(2R)-2-amino-3-methylbutanoyl]amino]-2-hydroxypropanoic acid
CID 107835890
3-[(2-amino-5-methoxypentanoyl)amino]-2-hydroxypropanoic acid
CID 81102712
(2S)-3-[(2-amino-4-phenylbutanoyl)amino]-2-hydroxypropanoic acid
CID 107835779
(2S)-2-amino-3-[[(2S)-4-amino-2-bromo-4-oxobutanoyl]amino]propanoic acid
CID 10468960
(2R)-2,4-diamino-4-oxobutanoic acid;hydrochloride
CID 135331136
bis(2,4-diamino-4-oxobutanoic acid);palladium
CID 3531876

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-diamino-4-oxobutanoyl)amino]-2-hydroxypropanoic acid?
The IUPAC name of 3-[(2,4-diamino-4-oxobutanoyl)amino]-2-hydroxypropanoic acid (CID 66168013) is 3-[(2,4-diamino-4-oxobutanoyl)amino]-2-hydroxypropanoic acid.
What is the SMILES notation for 3-[(2,4-diamino-4-oxobutanoyl)amino]-2-hydroxypropanoic acid?
The canonical SMILES for 3-[(2,4-diamino-4-oxobutanoyl)amino]-2-hydroxypropanoic acid is NC(=O)CC(N)C(=O)NCC(O)C(=O)O.
What is the InChIKey of 3-[(2,4-diamino-4-oxobutanoyl)amino]-2-hydroxypropanoic acid?
The InChIKey is XMVMAGQPXCDDHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O5/c8-3(1-5(9)12)6(13)10-2-4(11)7(14)15/h3-4,11H,1-2,8H2,(H2,9,12)(H,10,13)(H,14,15).
What are the key properties of 3-[(2,4-diamino-4-oxobutanoyl)amino]-2-hydroxypropanoic acid?
3-[(2,4-diamino-4-oxobutanoyl)amino]-2-hydroxypropanoic 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 3-[(2,4-diamino-4-oxobutanoyl)amino]-2-hydroxypropanoic acid is sourced from PubChem (CID 66168013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).