4-[(2-amino-3-methoxypropanoyl)amino]-2-hydroxybutanoic acid

C8H16N2O5 — CID 107836180

IUPAC4-[(2-amino-3-methoxypropanoyl)amino]-2-hydroxybutanoic acid
SMILESCOCC(N)C(=O)NCCC(O)C(=O)O
InChIInChI=1S/C8H16N2O5/c1-15-4-5(9)7(12)10-3-2-6(11)8(13)14/h5-6,11H,2-4,9H2,1H3,(H,10,12)(H,13,14)
InChIKeyNDDJLSNUPYMXQY-UHFFFAOYSA-N
MW220.22 g/mol
LogP-2.09
Rot. Bonds7

About 4-[(2-amino-3-methoxypropanoyl)amino]-2-hydroxybutanoic acid

4-[(2-amino-3-methoxypropanoyl)amino]-2-hydroxybutanoic acid (PubChem CID 107836180) has the molecular formula C8H16N2O5 and a molecular weight of 220.22 g/mol. Its IUPAC name is 4-[(2-amino-3-methoxypropanoyl)amino]-2-hydroxybutanoic acid.

Molecular Properties

Compound Name4-[(2-amino-3-methoxypropanoyl)amino]-2-hydroxybutanoic acid
PubChem CID107836180
Molecular FormulaC8H16N2O5
Molecular Weight220.22 g/mol
Exact Mass220.11
IUPAC Name4-[(2-amino-3-methoxypropanoyl)amino]-2-hydroxybutanoic acid
SMILESCOCC(N)C(=O)NCCC(O)C(=O)O
InChIInChI=1S/C8H16N2O5/c1-15-4-5(9)7(12)10-3-2-6(11)8(13)14/h5-6,11H,2-4,9H2,1H3,(H,10,12)(H,13,14)
InChIKeyNDDJLSNUPYMXQY-UHFFFAOYSA-N
XLogP-2.09
TPSA121.88 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.22
LogP ≤ 5-2.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[(2S)-2-aminopropanoyl]amino]-2-hydroxybutanoic acid
CID 107836163
2-amino-3-methoxy-N-[2-(2-methoxyethoxy)ethyl]propanamide
CID 81088978
4-[[(2S)-2-amino-3-methylbutanoyl]amino]-2-hydroxybutanoic acid
CID 107836107
(2S)-4-[(2-amino-3-methylpentanoyl)amino]-2-hydroxybutanoic acid
CID 107836409
5-[(2-amino-3-methoxypropanoyl)amino]pentanoic acid
CID 81088250
3-[(2-amino-5-methoxypentanoyl)amino]-2-hydroxypropanoic acid
CID 81102712
2-amino-N-[2-(2-hydroxyethoxy)ethyl]-3-methoxypropanamide
CID 81089376
methyl 4-[(2-amino-3-methoxypropanoyl)amino]butanoate
CID 81089164
2-amino-3-methoxy-N-(3-methoxy-2-methylpropyl)propanamide
CID 81089502
2-amino-N-[2-[di(propan-2-yl)amino]ethyl]-3-methoxypropanamide
CID 81081227
(2S)-2-amino-N-(3-hydroxy-4-methoxybutyl)hexanamide
CID 103951121
(2S)-2-hydroxy-4-(2-methylbutanoylamino)butanoic acid
CID 107834276

Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-3-methoxypropanoyl)amino]-2-hydroxybutanoic acid?
The IUPAC name of 4-[(2-amino-3-methoxypropanoyl)amino]-2-hydroxybutanoic acid (CID 107836180) is 4-[(2-amino-3-methoxypropanoyl)amino]-2-hydroxybutanoic acid.
What is the SMILES notation for 4-[(2-amino-3-methoxypropanoyl)amino]-2-hydroxybutanoic acid?
The canonical SMILES for 4-[(2-amino-3-methoxypropanoyl)amino]-2-hydroxybutanoic acid is COCC(N)C(=O)NCCC(O)C(=O)O.
What is the InChIKey of 4-[(2-amino-3-methoxypropanoyl)amino]-2-hydroxybutanoic acid?
The InChIKey is NDDJLSNUPYMXQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O5/c1-15-4-5(9)7(12)10-3-2-6(11)8(13)14/h5-6,11H,2-4,9H2,1H3,(H,10,12)(H,13,14).
What are the key properties of 4-[(2-amino-3-methoxypropanoyl)amino]-2-hydroxybutanoic acid?
4-[(2-amino-3-methoxypropanoyl)amino]-2-hydroxybutanoic acid has a molecular weight of 220.22 g/mol, XLogP of -2.09, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-amino-3-methoxypropanoyl)amino]-2-hydroxybutanoic acid is sourced from PubChem (CID 107836180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).