2-[1-[(1-amino-1-oxopropan-2-yl)sulfinylmethyl]cyclopropyl]acetic acid

C9H15NO4S — CID 65442155

IUPAC2-[1-[(1-amino-1-oxopropan-2-yl)sulfinylmethyl]cyclopropyl]acetic acid
SMILESCC(C(N)=O)S(=O)CC1(CC(=O)O)CC1
InChIInChI=1S/C9H15NO4S/c1-6(8(10)13)15(14)5-9(2-3-9)4-7(11)12/h6H,2-5H2,1H3,(H2,10,13)(H,11,12)
InChIKeyUMQZTAWCFXAXAW-UHFFFAOYSA-N
MW233.29 g/mol
LogP-0.14
Rot. Bonds6

About 2-[1-[(1-amino-1-oxopropan-2-yl)sulfinylmethyl]cyclopropyl]acetic acid

2-[1-[(1-amino-1-oxopropan-2-yl)sulfinylmethyl]cyclopropyl]acetic acid (PubChem CID 65442155) has the molecular formula C9H15NO4S and a molecular weight of 233.29 g/mol. Its IUPAC name is 2-[1-[(1-amino-1-oxopropan-2-yl)sulfinylmethyl]cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(1-amino-1-oxopropan-2-yl)sulfinylmethyl]cyclopropyl]acetic acid
PubChem CID65442155
Molecular FormulaC9H15NO4S
Molecular Weight233.29 g/mol
Exact Mass233.07
IUPAC Name2-[1-[(1-amino-1-oxopropan-2-yl)sulfinylmethyl]cyclopropyl]acetic acid
SMILESCC(C(N)=O)S(=O)CC1(CC(=O)O)CC1
InChIInChI=1S/C9H15NO4S/c1-6(8(10)13)15(14)5-9(2-3-9)4-7(11)12/h6H,2-5H2,1H3,(H2,10,13)(H,11,12)
InChIKeyUMQZTAWCFXAXAW-UHFFFAOYSA-N
XLogP-0.14
TPSA97.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[1-[(1-amino-1-oxopropan-2-yl)sulfinylmethyl]cyclopropyl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(1-amino-1-oxopropan-2-yl)sulfinylmethyl]cyclopropyl]acetic acid?
The IUPAC name of 2-[1-[(1-amino-1-oxopropan-2-yl)sulfinylmethyl]cyclopropyl]acetic acid (CID 65442155) is 2-[1-[(1-amino-1-oxopropan-2-yl)sulfinylmethyl]cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-[(1-amino-1-oxopropan-2-yl)sulfinylmethyl]cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-[(1-amino-1-oxopropan-2-yl)sulfinylmethyl]cyclopropyl]acetic acid is CC(C(N)=O)S(=O)CC1(CC(=O)O)CC1.
What is the InChIKey of 2-[1-[(1-amino-1-oxopropan-2-yl)sulfinylmethyl]cyclopropyl]acetic acid?
The InChIKey is UMQZTAWCFXAXAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO4S/c1-6(8(10)13)15(14)5-9(2-3-9)4-7(11)12/h6H,2-5H2,1H3,(H2,10,13)(H,11,12).
What are the key properties of 2-[1-[(1-amino-1-oxopropan-2-yl)sulfinylmethyl]cyclopropyl]acetic acid?
2-[1-[(1-amino-1-oxopropan-2-yl)sulfinylmethyl]cyclopropyl]acetic acid has a molecular weight of 233.29 g/mol, XLogP of -0.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(1-amino-1-oxopropan-2-yl)sulfinylmethyl]cyclopropyl]acetic acid is sourced from PubChem (CID 65442155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).