3-amino-N-[(3S)-2-oxooxolan-3-yl]propanamide

C7H12N2O3 — CID 130626643

IUPAC3-amino-N-[(3S)-2-oxooxolan-3-yl]propanamide
SMILESNCCC(=O)N[C@H]1CCOC1=O
InChIInChI=1S/C7H12N2O3/c8-3-1-6(10)9-5-2-4-12-7(5)11/h5H,1-4,8H2,(H,9,10)/t5-/m0/s1
InChIKeyBXYQAAZFAKITFL-YFKPBYRVSA-N
MW172.18 g/mol
LogP-1.23
Rot. Bonds3

About 3-amino-N-[(3S)-2-oxooxolan-3-yl]propanamide

3-amino-N-[(3S)-2-oxooxolan-3-yl]propanamide (PubChem CID 130626643) has the molecular formula C7H12N2O3 and a molecular weight of 172.18 g/mol. Its IUPAC name is 3-amino-N-[(3S)-2-oxooxolan-3-yl]propanamide.

Molecular Properties

Compound Name3-amino-N-[(3S)-2-oxooxolan-3-yl]propanamide
PubChem CID130626643
Molecular FormulaC7H12N2O3
Molecular Weight172.18 g/mol
Exact Mass172.08
IUPAC Name3-amino-N-[(3S)-2-oxooxolan-3-yl]propanamide
SMILESNCCC(=O)N[C@H]1CCOC1=O
InChIInChI=1S/C7H12N2O3/c8-3-1-6(10)9-5-2-4-12-7(5)11/h5H,1-4,8H2,(H,9,10)/t5-/m0/s1
InChIKeyBXYQAAZFAKITFL-YFKPBYRVSA-N
XLogP-1.23
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 5-1.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(3S)-2-oxooxolan-3-yl]propanamide?
The IUPAC name of 3-amino-N-[(3S)-2-oxooxolan-3-yl]propanamide (CID 130626643) is 3-amino-N-[(3S)-2-oxooxolan-3-yl]propanamide.
What is the SMILES notation for 3-amino-N-[(3S)-2-oxooxolan-3-yl]propanamide?
The canonical SMILES for 3-amino-N-[(3S)-2-oxooxolan-3-yl]propanamide is NCCC(=O)N[C@H]1CCOC1=O.
What is the InChIKey of 3-amino-N-[(3S)-2-oxooxolan-3-yl]propanamide?
The InChIKey is BXYQAAZFAKITFL-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H12N2O3/c8-3-1-6(10)9-5-2-4-12-7(5)11/h5H,1-4,8H2,(H,9,10)/t5-/m0/s1.
What are the key properties of 3-amino-N-[(3S)-2-oxooxolan-3-yl]propanamide?
3-amino-N-[(3S)-2-oxooxolan-3-yl]propanamide has a molecular weight of 172.18 g/mol, XLogP of -1.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(3S)-2-oxooxolan-3-yl]propanamide is sourced from PubChem (CID 130626643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).