3-[1-hydroxybutan-2-yl(2-oxopropyl)amino]propanoic acid

C10H19NO4 — CID 82329128

IUPAC3-[1-hydroxybutan-2-yl(2-oxopropyl)amino]propanoic acid
SMILESCCC(CO)N(CCC(=O)O)CC(C)=O
InChIInChI=1S/C10H19NO4/c1-3-9(7-12)11(6-8(2)13)5-4-10(14)15/h9,12H,3-7H2,1-2H3,(H,14,15)
InChIKeyPWODHGXKLNZVGI-UHFFFAOYSA-N
MW217.26 g/mol
LogP0.12
Rot. Bonds8

About 3-[1-hydroxybutan-2-yl(2-oxopropyl)amino]propanoic acid

3-[1-hydroxybutan-2-yl(2-oxopropyl)amino]propanoic acid (PubChem CID 82329128) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is 3-[1-hydroxybutan-2-yl(2-oxopropyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[1-hydroxybutan-2-yl(2-oxopropyl)amino]propanoic acid
PubChem CID82329128
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Name3-[1-hydroxybutan-2-yl(2-oxopropyl)amino]propanoic acid
SMILESCCC(CO)N(CCC(=O)O)CC(C)=O
InChIInChI=1S/C10H19NO4/c1-3-9(7-12)11(6-8(2)13)5-4-10(14)15/h9,12H,3-7H2,1-2H3,(H,14,15)
InChIKeyPWODHGXKLNZVGI-UHFFFAOYSA-N
XLogP0.12
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-hydroxybutan-2-yl(propyl)amino]propanoic acid
CID 82328088
3-[1-hydroxybutan-2-yl(methyl)amino]propanoic acid
CID 82328726
2-[2-carboxyethyl(2-oxopropyl)amino]propanoic acid
CID 82329086
2-[2-carboxyethyl(2-oxopropyl)amino]pentanoic acid
CID 82329130
3-[benzyl(1-hydroxybutan-2-yl)amino]propanoic acid
CID 82327539
3-[1-hydroxybutan-2-yl(methylsulfonyl)amino]propanoic acid
CID 82326353
3-[methyl(pentan-3-yl)amino]propanoic acid
CID 43571317
3-[ethyl(3-oxobutan-2-yl)amino]propanoic acid
CID 82329294
3-[3-oxobutan-2-yl(propyl)amino]propanoic acid
CID 82329288
2-[ethyl(2-hydroxyethyl)amino]butan-1-ol
CID 87456981
2-[(3-amino-3-oxopropyl)-butan-2-ylamino]acetic acid
CID 60833263
3-[(1-amino-1-oxobutan-2-yl)-ethylamino]propanoic acid
CID 62900252

Frequently Asked Questions

What is the IUPAC name of 3-[1-hydroxybutan-2-yl(2-oxopropyl)amino]propanoic acid?
The IUPAC name of 3-[1-hydroxybutan-2-yl(2-oxopropyl)amino]propanoic acid (CID 82329128) is 3-[1-hydroxybutan-2-yl(2-oxopropyl)amino]propanoic acid.
What is the SMILES notation for 3-[1-hydroxybutan-2-yl(2-oxopropyl)amino]propanoic acid?
The canonical SMILES for 3-[1-hydroxybutan-2-yl(2-oxopropyl)amino]propanoic acid is CCC(CO)N(CCC(=O)O)CC(C)=O.
What is the InChIKey of 3-[1-hydroxybutan-2-yl(2-oxopropyl)amino]propanoic acid?
The InChIKey is PWODHGXKLNZVGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-3-9(7-12)11(6-8(2)13)5-4-10(14)15/h9,12H,3-7H2,1-2H3,(H,14,15).
What are the key properties of 3-[1-hydroxybutan-2-yl(2-oxopropyl)amino]propanoic acid?
3-[1-hydroxybutan-2-yl(2-oxopropyl)amino]propanoic acid has a molecular weight of 217.26 g/mol, XLogP of 0.12, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-hydroxybutan-2-yl(2-oxopropyl)amino]propanoic acid is sourced from PubChem (CID 82329128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).