2-[2-[(2,3-dimethylcyclopentyl)amino]-2-oxoethyl]sulfanylacetic acid

C11H19NO3S — CID 104570030

IUPAC2-[2-[(2,3-dimethylcyclopentyl)amino]-2-oxoethyl]sulfanylacetic acid
SMILESCC1CCC(NC(=O)CSCC(=O)O)C1C
InChIInChI=1S/C11H19NO3S/c1-7-3-4-9(8(7)2)12-10(13)5-16-6-11(14)15/h7-9H,3-6H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyAVYVPPUYTMKOSS-UHFFFAOYSA-N
MW245.34 g/mol
LogP1.36
Rot. Bonds5

About 2-[2-[(2,3-dimethylcyclopentyl)amino]-2-oxoethyl]sulfanylacetic acid

2-[2-[(2,3-dimethylcyclopentyl)amino]-2-oxoethyl]sulfanylacetic acid (PubChem CID 104570030) has the molecular formula C11H19NO3S and a molecular weight of 245.34 g/mol. Its IUPAC name is 2-[2-[(2,3-dimethylcyclopentyl)amino]-2-oxoethyl]sulfanylacetic acid.

Molecular Properties

Compound Name2-[2-[(2,3-dimethylcyclopentyl)amino]-2-oxoethyl]sulfanylacetic acid
PubChem CID104570030
Molecular FormulaC11H19NO3S
Molecular Weight245.34 g/mol
Exact Mass245.11
IUPAC Name2-[2-[(2,3-dimethylcyclopentyl)amino]-2-oxoethyl]sulfanylacetic acid
SMILESCC1CCC(NC(=O)CSCC(=O)O)C1C
InChIInChI=1S/C11H19NO3S/c1-7-3-4-9(8(7)2)12-10(13)5-16-6-11(14)15/h7-9H,3-6H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyAVYVPPUYTMKOSS-UHFFFAOYSA-N
XLogP1.36
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.34
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl]sulfanylpropanoic acid
CID 93302403
2-[1-[[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl]sulfanylmethyl]cyclopropyl]acetic acid
CID 65443068
3-[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl]sulfanyl-2-methylpropanoic acid
CID 64916472
N-(2,3-dimethylcyclopentyl)butanamide
CID 64922483
2-[2-[(2-hydroxycyclohexyl)amino]-2-oxoethyl]sulfanylacetic acid
CID 104569846
N-(2,3-dimethylcyclopentyl)-3-sulfanylpropanamide
CID 107031074
2-[2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-2-oxoethyl]sulfanylacetic acid
CID 104569486
2-[2-[(3-hydroxycyclobutyl)amino]-2-oxoethyl]sulfanylacetic acid
CID 104570081
N-(2,3-dimethylcyclopentyl)acetamide
CID 64922482
2-[1-[(2,3-dimethylcyclopentyl)carbamoyl]azetidin-3-yl]acetic acid
CID 64923426
N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-[(E)-3-phenylprop-2-enyl]sulfanylacetamide
CID 124838816
N-(2,3-dimethylcyclopentyl)-3-(propan-2-ylamino)propanamide
CID 64907400

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2,3-dimethylcyclopentyl)amino]-2-oxoethyl]sulfanylacetic acid?
The IUPAC name of 2-[2-[(2,3-dimethylcyclopentyl)amino]-2-oxoethyl]sulfanylacetic acid (CID 104570030) is 2-[2-[(2,3-dimethylcyclopentyl)amino]-2-oxoethyl]sulfanylacetic acid.
What is the SMILES notation for 2-[2-[(2,3-dimethylcyclopentyl)amino]-2-oxoethyl]sulfanylacetic acid?
The canonical SMILES for 2-[2-[(2,3-dimethylcyclopentyl)amino]-2-oxoethyl]sulfanylacetic acid is CC1CCC(NC(=O)CSCC(=O)O)C1C.
What is the InChIKey of 2-[2-[(2,3-dimethylcyclopentyl)amino]-2-oxoethyl]sulfanylacetic acid?
The InChIKey is AVYVPPUYTMKOSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3S/c1-7-3-4-9(8(7)2)12-10(13)5-16-6-11(14)15/h7-9H,3-6H2,1-2H3,(H,12,13)(H,14,15).
What are the key properties of 2-[2-[(2,3-dimethylcyclopentyl)amino]-2-oxoethyl]sulfanylacetic acid?
2-[2-[(2,3-dimethylcyclopentyl)amino]-2-oxoethyl]sulfanylacetic acid has a molecular weight of 245.34 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2,3-dimethylcyclopentyl)amino]-2-oxoethyl]sulfanylacetic acid is sourced from PubChem (CID 104570030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).