(2S,3R)-3-hydroxy-2-(propanoylamino)butanamide

C7H14N2O3 — CID 87651893

IUPAC(2S,3R)-3-hydroxy-2-(propanoylamino)butanamide
SMILESCCC(=O)N[C@H](C(N)=O)[C@@H](C)O
InChIInChI=1S/C7H14N2O3/c1-3-5(11)9-6(4(2)10)7(8)12/h4,6,10H,3H2,1-2H3,(H2,8,12)(H,9,11)/t4-,6+/m1/s1
InChIKeyIYAQBXSNBLUBJV-XINAWCOVSA-N
MW174.20 g/mol
LogP-1.25
Rot. Bonds4

About (2S,3R)-3-hydroxy-2-(propanoylamino)butanamide

(2S,3R)-3-hydroxy-2-(propanoylamino)butanamide (PubChem CID 87651893) has the molecular formula C7H14N2O3 and a molecular weight of 174.20 g/mol. Its IUPAC name is (2S,3R)-3-hydroxy-2-(propanoylamino)butanamide.

Molecular Properties

Compound Name(2S,3R)-3-hydroxy-2-(propanoylamino)butanamide
PubChem CID87651893
Molecular FormulaC7H14N2O3
Molecular Weight174.20 g/mol
Exact Mass174.10
IUPAC Name(2S,3R)-3-hydroxy-2-(propanoylamino)butanamide
SMILESCCC(=O)N[C@H](C(N)=O)[C@@H](C)O
InChIInChI=1S/C7H14N2O3/c1-3-5(11)9-6(4(2)10)7(8)12/h4,6,10H,3H2,1-2H3,(H2,8,12)(H,9,11)/t4-,6+/m1/s1
InChIKeyIYAQBXSNBLUBJV-XINAWCOVSA-N
XLogP-1.25
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 5-1.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-hydroxy-2-(propanoylamino)butanamide?
The IUPAC name of (2S,3R)-3-hydroxy-2-(propanoylamino)butanamide (CID 87651893) is (2S,3R)-3-hydroxy-2-(propanoylamino)butanamide.
What is the SMILES notation for (2S,3R)-3-hydroxy-2-(propanoylamino)butanamide?
The canonical SMILES for (2S,3R)-3-hydroxy-2-(propanoylamino)butanamide is CCC(=O)N[C@H](C(N)=O)[C@@H](C)O.
What is the InChIKey of (2S,3R)-3-hydroxy-2-(propanoylamino)butanamide?
The InChIKey is IYAQBXSNBLUBJV-XINAWCOVSA-N. The full InChI is InChI=1S/C7H14N2O3/c1-3-5(11)9-6(4(2)10)7(8)12/h4,6,10H,3H2,1-2H3,(H2,8,12)(H,9,11)/t4-,6+/m1/s1.
What are the key properties of (2S,3R)-3-hydroxy-2-(propanoylamino)butanamide?
(2S,3R)-3-hydroxy-2-(propanoylamino)butanamide has a molecular weight of 174.20 g/mol, XLogP of -1.25, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-hydroxy-2-(propanoylamino)butanamide is sourced from PubChem (CID 87651893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).