3-hydroxy-2-(propanoylamino)-N-propan-2-ylbutanamide

C10H20N2O3 — CID 142455323

IUPAC3-hydroxy-2-(propanoylamino)-N-propan-2-ylbutanamide
SMILESCCC(=O)NC(C(=O)NC(C)C)C(C)O
InChIInChI=1S/C10H20N2O3/c1-5-8(14)12-9(7(4)13)10(15)11-6(2)3/h6-7,9,13H,5H2,1-4H3,(H,11,15)(H,12,14)
InChIKeyXOFVZYMRYOUCJR-UHFFFAOYSA-N
MW216.28 g/mol
LogP-0.21
Rot. Bonds5

About 3-hydroxy-2-(propanoylamino)-N-propan-2-ylbutanamide

3-hydroxy-2-(propanoylamino)-N-propan-2-ylbutanamide (PubChem CID 142455323) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is 3-hydroxy-2-(propanoylamino)-N-propan-2-ylbutanamide.

Molecular Properties

Compound Name3-hydroxy-2-(propanoylamino)-N-propan-2-ylbutanamide
PubChem CID142455323
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name3-hydroxy-2-(propanoylamino)-N-propan-2-ylbutanamide
SMILESCCC(=O)NC(C(=O)NC(C)C)C(C)O
InChIInChI=1S/C10H20N2O3/c1-5-8(14)12-9(7(4)13)10(15)11-6(2)3/h6-7,9,13H,5H2,1-4H3,(H,11,15)(H,12,14)
InChIKeyXOFVZYMRYOUCJR-UHFFFAOYSA-N
XLogP-0.21
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 5-0.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-propan-2-ylpropanamide;dihydrochloride
CID 172679019
2-[[2-[(2-aminoacetyl)amino]-3-hydroxybutanoyl]amino]propanoic acid
CID 18221143
CID 173193543
CID 173193543
N-(1-sulfanylethyl)propanamide
CID 22119628
(2S,3R)-3-hydroxy-4-methyl-2-(propanoylamino)pentanoic acid
CID 154944935
2-[[2-[[2-[(2-aminoacetyl)amino]-3-hydroxybutanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxybutanoic acid
CID 18491430
6-amino-2-(propanoylamino)-N-propan-2-ylhexanamide;ethane
CID 170713669
N-ethyl-2-methylpropanamide;methane;N-propan-2-ylpropanamide
CID 160804032
2-hydroxy-3-methyl-N-propan-2-ylpentanamide
CID 59882624
(2S)-3-methyl-2-(propanoylamino)butanamide
CID 90831361
(4R,5S)-5-hydroxy-4-(propan-2-ylamino)hexan-3-one
CID 157133698
3-methyl-2-(propanoylamino)butanamide
CID 22574980

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-(propanoylamino)-N-propan-2-ylbutanamide?
The IUPAC name of 3-hydroxy-2-(propanoylamino)-N-propan-2-ylbutanamide (CID 142455323) is 3-hydroxy-2-(propanoylamino)-N-propan-2-ylbutanamide.
What is the SMILES notation for 3-hydroxy-2-(propanoylamino)-N-propan-2-ylbutanamide?
The canonical SMILES for 3-hydroxy-2-(propanoylamino)-N-propan-2-ylbutanamide is CCC(=O)NC(C(=O)NC(C)C)C(C)O.
What is the InChIKey of 3-hydroxy-2-(propanoylamino)-N-propan-2-ylbutanamide?
The InChIKey is XOFVZYMRYOUCJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-5-8(14)12-9(7(4)13)10(15)11-6(2)3/h6-7,9,13H,5H2,1-4H3,(H,11,15)(H,12,14).
What are the key properties of 3-hydroxy-2-(propanoylamino)-N-propan-2-ylbutanamide?
3-hydroxy-2-(propanoylamino)-N-propan-2-ylbutanamide has a molecular weight of 216.28 g/mol, XLogP of -0.21, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-(propanoylamino)-N-propan-2-ylbutanamide is sourced from PubChem (CID 142455323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).