(2S)-2-[(4-amino-3-methoxybutanoyl)amino]-3-hydroxypropanoic acid

C8H16N2O5 — CID 103155444

IUPAC(2S)-2-[(4-amino-3-methoxybutanoyl)amino]-3-hydroxypropanoic acid
SMILESCOC(CN)CC(=O)N[C@@H](CO)C(=O)O
InChIInChI=1S/C8H16N2O5/c1-15-5(3-9)2-7(12)10-6(4-11)8(13)14/h5-6,11H,2-4,9H2,1H3,(H,10,12)(H,13,14)/t5?,6-/m0/s1
InChIKeyCNRMJBUYSQVDMH-GDVGLLTNSA-N
MW220.22 g/mol
LogP-2.09
Rot. Bonds7

About (2S)-2-[(4-amino-3-methoxybutanoyl)amino]-3-hydroxypropanoic acid

(2S)-2-[(4-amino-3-methoxybutanoyl)amino]-3-hydroxypropanoic acid (PubChem CID 103155444) has the molecular formula C8H16N2O5 and a molecular weight of 220.22 g/mol. Its IUPAC name is (2S)-2-[(4-amino-3-methoxybutanoyl)amino]-3-hydroxypropanoic acid.

Molecular Properties

Compound Name(2S)-2-[(4-amino-3-methoxybutanoyl)amino]-3-hydroxypropanoic acid
PubChem CID103155444
Molecular FormulaC8H16N2O5
Molecular Weight220.22 g/mol
Exact Mass220.11
IUPAC Name(2S)-2-[(4-amino-3-methoxybutanoyl)amino]-3-hydroxypropanoic acid
SMILESCOC(CN)CC(=O)N[C@@H](CO)C(=O)O
InChIInChI=1S/C8H16N2O5/c1-15-5(3-9)2-7(12)10-6(4-11)8(13)14/h5-6,11H,2-4,9H2,1H3,(H,10,12)(H,13,14)/t5?,6-/m0/s1
InChIKeyCNRMJBUYSQVDMH-GDVGLLTNSA-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

2-[(4-amino-3-methoxybutanoyl)amino]-3-hydroxypropanoic acid
CID 103155386
2-[(4-amino-3-methoxybutanoyl)amino]hexanoic acid
CID 103155410
2-[(4-amino-3-methoxybutanoyl)amino]-4-methylsulfanylbutanoic acid
CID 103155376
4-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-methoxybutanamide
CID 103156180
2-[(4-amino-3-methoxybutanoyl)amino]-2-cyclopropylacetic acid
CID 103155791
(2R)-2-[(4-amino-3-methoxybutanoyl)amino]-3,3-dimethylbutanoic acid
CID 103156564
2-[(4-amino-3-ethoxybutanoyl)amino]-3-methoxypropanoic acid
CID 114227516
4-amino-3-methoxy-N-(3-methylbutan-2-yl)butanamide
CID 103154290
3-hydroxy-2-(propanoylamino)propanoic acid
CID 11845678
4-amino-N-(2-aminoethyl)-3-methoxybutanamide
CID 103155547
3-hydroxy-2-[(4-methoxy-4-oxobutanoyl)amino]propanoic acid
CID 101050675
4-amino-N-(dicyclopropylmethyl)-3-methoxybutanamide
CID 103155504

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-amino-3-methoxybutanoyl)amino]-3-hydroxypropanoic acid?
The IUPAC name of (2S)-2-[(4-amino-3-methoxybutanoyl)amino]-3-hydroxypropanoic acid (CID 103155444) is (2S)-2-[(4-amino-3-methoxybutanoyl)amino]-3-hydroxypropanoic acid.
What is the SMILES notation for (2S)-2-[(4-amino-3-methoxybutanoyl)amino]-3-hydroxypropanoic acid?
The canonical SMILES for (2S)-2-[(4-amino-3-methoxybutanoyl)amino]-3-hydroxypropanoic acid is COC(CN)CC(=O)N[C@@H](CO)C(=O)O.
What is the InChIKey of (2S)-2-[(4-amino-3-methoxybutanoyl)amino]-3-hydroxypropanoic acid?
The InChIKey is CNRMJBUYSQVDMH-GDVGLLTNSA-N. The full InChI is InChI=1S/C8H16N2O5/c1-15-5(3-9)2-7(12)10-6(4-11)8(13)14/h5-6,11H,2-4,9H2,1H3,(H,10,12)(H,13,14)/t5?,6-/m0/s1.
What are the key properties of (2S)-2-[(4-amino-3-methoxybutanoyl)amino]-3-hydroxypropanoic acid?
(2S)-2-[(4-amino-3-methoxybutanoyl)amino]-3-hydroxypropanoic 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 (2S)-2-[(4-amino-3-methoxybutanoyl)amino]-3-hydroxypropanoic acid is sourced from PubChem (CID 103155444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).