(3R)-4-hydroxy-3-(propanoylamino)butanamide

C7H14N2O3 — CID 174248107

IUPAC(3R)-4-hydroxy-3-(propanoylamino)butanamide
SMILESCCC(=O)N[C@@H](CO)CC(N)=O
InChIInChI=1S/C7H14N2O3/c1-2-7(12)9-5(4-10)3-6(8)11/h5,10H,2-4H2,1H3,(H2,8,11)(H,9,12)/t5-/m1/s1
InChIKeyDATMGNNRNQKXJR-RXMQYKEDSA-N
MW174.20 g/mol
LogP-1.25
Rot. Bonds5

About (3R)-4-hydroxy-3-(propanoylamino)butanamide

(3R)-4-hydroxy-3-(propanoylamino)butanamide (PubChem CID 174248107) has the molecular formula C7H14N2O3 and a molecular weight of 174.20 g/mol. Its IUPAC name is (3R)-4-hydroxy-3-(propanoylamino)butanamide.

Molecular Properties

Compound Name(3R)-4-hydroxy-3-(propanoylamino)butanamide
PubChem CID174248107
Molecular FormulaC7H14N2O3
Molecular Weight174.20 g/mol
Exact Mass174.10
IUPAC Name(3R)-4-hydroxy-3-(propanoylamino)butanamide
SMILESCCC(=O)N[C@@H](CO)CC(N)=O
InChIInChI=1S/C7H14N2O3/c1-2-7(12)9-5(4-10)3-6(8)11/h5,10H,2-4H2,1H3,(H2,8,11)(H,9,12)/t5-/m1/s1
InChIKeyDATMGNNRNQKXJR-RXMQYKEDSA-N
XLogP-1.25
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
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 (3R)-4-hydroxy-3-(propanoylamino)butanamide?
The IUPAC name of (3R)-4-hydroxy-3-(propanoylamino)butanamide (CID 174248107) is (3R)-4-hydroxy-3-(propanoylamino)butanamide.
What is the SMILES notation for (3R)-4-hydroxy-3-(propanoylamino)butanamide?
The canonical SMILES for (3R)-4-hydroxy-3-(propanoylamino)butanamide is CCC(=O)N[C@@H](CO)CC(N)=O.
What is the InChIKey of (3R)-4-hydroxy-3-(propanoylamino)butanamide?
The InChIKey is DATMGNNRNQKXJR-RXMQYKEDSA-N. The full InChI is InChI=1S/C7H14N2O3/c1-2-7(12)9-5(4-10)3-6(8)11/h5,10H,2-4H2,1H3,(H2,8,11)(H,9,12)/t5-/m1/s1.
What are the key properties of (3R)-4-hydroxy-3-(propanoylamino)butanamide?
(3R)-4-hydroxy-3-(propanoylamino)butanamide has a molecular weight of 174.20 g/mol, XLogP of -1.25, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-hydroxy-3-(propanoylamino)butanamide is sourced from PubChem (CID 174248107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).