2-[1-[[1-(methylamino)-1-oxopropan-2-yl]sulfanylmethyl]cyclopropyl]acetic acid

C10H17NO3S — CID 65443701

IUPAC2-[1-[[1-(methylamino)-1-oxopropan-2-yl]sulfanylmethyl]cyclopropyl]acetic acid
SMILESCNC(=O)C(C)SCC1(CC(=O)O)CC1
InChIInChI=1S/C10H17NO3S/c1-7(9(14)11-2)15-6-10(3-4-10)5-8(12)13/h7H,3-6H2,1-2H3,(H,11,14)(H,12,13)
InChIKeyAHQHZUULQXLSHN-UHFFFAOYSA-N
MW231.32 g/mol
LogP1.11
Rot. Bonds6

About 2-[1-[[1-(methylamino)-1-oxopropan-2-yl]sulfanylmethyl]cyclopropyl]acetic acid

2-[1-[[1-(methylamino)-1-oxopropan-2-yl]sulfanylmethyl]cyclopropyl]acetic acid (PubChem CID 65443701) has the molecular formula C10H17NO3S and a molecular weight of 231.32 g/mol. Its IUPAC name is 2-[1-[[1-(methylamino)-1-oxopropan-2-yl]sulfanylmethyl]cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[1-(methylamino)-1-oxopropan-2-yl]sulfanylmethyl]cyclopropyl]acetic acid
PubChem CID65443701
Molecular FormulaC10H17NO3S
Molecular Weight231.32 g/mol
Exact Mass231.09
IUPAC Name2-[1-[[1-(methylamino)-1-oxopropan-2-yl]sulfanylmethyl]cyclopropyl]acetic acid
SMILESCNC(=O)C(C)SCC1(CC(=O)O)CC1
InChIInChI=1S/C10H17NO3S/c1-7(9(14)11-2)15-6-10(3-4-10)5-8(12)13/h7H,3-6H2,1-2H3,(H,11,14)(H,12,13)
InChIKeyAHQHZUULQXLSHN-UHFFFAOYSA-N
XLogP1.11
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[1-[[1-(methylamino)-1-oxopropan-2-yl]sulfanylmethyl]cyclopropyl]acetic acid with MolForge

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Related Compounds

methyl 2-[1-[[1-(methylamino)-1-oxopropan-2-yl]sulfanylmethyl]cyclopropyl]acetate
CID 107775991
2-[1-[[1-(methylamino)-1-oxopropan-2-yl]sulfinylmethyl]cyclopropyl]acetic acid
CID 65442762
2-[1-[(1-morpholin-4-yl-1-oxopropan-2-yl)sulfanylmethyl]cyclopropyl]acetic acid
CID 65443671
methyl 2-[1-[[1-oxo-1-(prop-2-ynylamino)propan-2-yl]sulfanylmethyl]cyclopropyl]acetate
CID 114000219
2-[1-[[2-(6-methylheptan-2-ylamino)-2-oxoethyl]sulfanylmethyl]cyclopropyl]acetic acid
CID 65442695
2-[1-[2-[[1-(methylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]cyclopentyl]acetic acid
CID 61464488
3-[[1-(2-methoxy-2-oxoethyl)cyclopropyl]methylsulfanyl]-2-methylbutanoic acid
CID 107775863
2-[1-[(4-propan-2-ylphenyl)sulfanylmethyl]cyclopropyl]acetic acid
CID 65496784
2-[1-(2,2-difluoroethylsulfanylmethyl)cyclopropyl]acetic acid
CID 65442124
2-[1-[[2-oxo-2-(pentan-3-ylamino)ethyl]sulfanylmethyl]cyclopropyl]acetic acid
CID 65441697
methyl 2-[1-[[1-(diethylamino)-1-oxopropan-2-yl]sulfanylmethyl]cyclopropyl]acetate
CID 107776024
2-[1-[(3-methoxy-3-methylbutyl)sulfanylmethyl]cyclopropyl]acetic acid
CID 103032609

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[1-(methylamino)-1-oxopropan-2-yl]sulfanylmethyl]cyclopropyl]acetic acid?
The IUPAC name of 2-[1-[[1-(methylamino)-1-oxopropan-2-yl]sulfanylmethyl]cyclopropyl]acetic acid (CID 65443701) is 2-[1-[[1-(methylamino)-1-oxopropan-2-yl]sulfanylmethyl]cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-[[1-(methylamino)-1-oxopropan-2-yl]sulfanylmethyl]cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-[[1-(methylamino)-1-oxopropan-2-yl]sulfanylmethyl]cyclopropyl]acetic acid is CNC(=O)C(C)SCC1(CC(=O)O)CC1.
What is the InChIKey of 2-[1-[[1-(methylamino)-1-oxopropan-2-yl]sulfanylmethyl]cyclopropyl]acetic acid?
The InChIKey is AHQHZUULQXLSHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3S/c1-7(9(14)11-2)15-6-10(3-4-10)5-8(12)13/h7H,3-6H2,1-2H3,(H,11,14)(H,12,13).
What are the key properties of 2-[1-[[1-(methylamino)-1-oxopropan-2-yl]sulfanylmethyl]cyclopropyl]acetic acid?
2-[1-[[1-(methylamino)-1-oxopropan-2-yl]sulfanylmethyl]cyclopropyl]acetic acid has a molecular weight of 231.32 g/mol, XLogP of 1.11, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[1-(methylamino)-1-oxopropan-2-yl]sulfanylmethyl]cyclopropyl]acetic acid is sourced from PubChem (CID 65443701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).