(3R)-N-ethyl-3-hydroxy-4-(2-methylpropanoylamino)butanamide

C10H20N2O3 — CID 172574807

IUPAC(3R)-N-ethyl-3-hydroxy-4-(2-methylpropanoylamino)butanamide
SMILESCCNC(=O)C[C@@H](O)CNC(=O)C(C)C
InChIInChI=1S/C10H20N2O3/c1-4-11-9(14)5-8(13)6-12-10(15)7(2)3/h7-8,13H,4-6H2,1-3H3,(H,11,14)(H,12,15)/t8-/m1/s1
InChIKeyIKXWRPWGWZJOOC-MRVPVSSYSA-N
MW216.28 g/mol
LogP-0.35
Rot. Bonds6

About (3R)-N-ethyl-3-hydroxy-4-(2-methylpropanoylamino)butanamide

(3R)-N-ethyl-3-hydroxy-4-(2-methylpropanoylamino)butanamide (PubChem CID 172574807) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is (3R)-N-ethyl-3-hydroxy-4-(2-methylpropanoylamino)butanamide.

Molecular Properties

Compound Name(3R)-N-ethyl-3-hydroxy-4-(2-methylpropanoylamino)butanamide
PubChem CID172574807
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name(3R)-N-ethyl-3-hydroxy-4-(2-methylpropanoylamino)butanamide
SMILESCCNC(=O)C[C@@H](O)CNC(=O)C(C)C
InChIInChI=1S/C10H20N2O3/c1-4-11-9(14)5-8(13)6-12-10(15)7(2)3/h7-8,13H,4-6H2,1-3H3,(H,11,14)(H,12,15)/t8-/m1/s1
InChIKeyIKXWRPWGWZJOOC-MRVPVSSYSA-N
XLogP-0.35
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 5-0.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-ethyl-3-hydroxy-4-(2-methylpropanoylamino)butanamide?
The IUPAC name of (3R)-N-ethyl-3-hydroxy-4-(2-methylpropanoylamino)butanamide (CID 172574807) is (3R)-N-ethyl-3-hydroxy-4-(2-methylpropanoylamino)butanamide.
What is the SMILES notation for (3R)-N-ethyl-3-hydroxy-4-(2-methylpropanoylamino)butanamide?
The canonical SMILES for (3R)-N-ethyl-3-hydroxy-4-(2-methylpropanoylamino)butanamide is CCNC(=O)C[C@@H](O)CNC(=O)C(C)C.
What is the InChIKey of (3R)-N-ethyl-3-hydroxy-4-(2-methylpropanoylamino)butanamide?
The InChIKey is IKXWRPWGWZJOOC-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-4-11-9(14)5-8(13)6-12-10(15)7(2)3/h7-8,13H,4-6H2,1-3H3,(H,11,14)(H,12,15)/t8-/m1/s1.
What are the key properties of (3R)-N-ethyl-3-hydroxy-4-(2-methylpropanoylamino)butanamide?
(3R)-N-ethyl-3-hydroxy-4-(2-methylpropanoylamino)butanamide has a molecular weight of 216.28 g/mol, XLogP of -0.35, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-ethyl-3-hydroxy-4-(2-methylpropanoylamino)butanamide is sourced from PubChem (CID 172574807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).