2-[cyclopropylmethyl-(1,1-dioxo-1,4-thiazinane-4-carbonyl)amino]acetic acid

C11H18N2O5S — CID 43656162

IUPAC2-[cyclopropylmethyl-(1,1-dioxo-1,4-thiazinane-4-carbonyl)amino]acetic acid
SMILESO=C(O)CN(CC1CC1)C(=O)N1CCS(=O)(=O)CC1
InChIInChI=1S/C11H18N2O5S/c14-10(15)8-13(7-9-1-2-9)11(16)12-3-5-19(17,18)6-4-12/h9H,1-8H2,(H,14,15)
InChIKeyLPNRNBSJOMIPQQ-UHFFFAOYSA-N
MW290.34 g/mol
LogP-0.37
Rot. Bonds4

About 2-[cyclopropylmethyl-(1,1-dioxo-1,4-thiazinane-4-carbonyl)amino]acetic acid

2-[cyclopropylmethyl-(1,1-dioxo-1,4-thiazinane-4-carbonyl)amino]acetic acid (PubChem CID 43656162) has the molecular formula C11H18N2O5S and a molecular weight of 290.34 g/mol. Its IUPAC name is 2-[cyclopropylmethyl-(1,1-dioxo-1,4-thiazinane-4-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl-(1,1-dioxo-1,4-thiazinane-4-carbonyl)amino]acetic acid
PubChem CID43656162
Molecular FormulaC11H18N2O5S
Molecular Weight290.34 g/mol
Exact Mass290.09
IUPAC Name2-[cyclopropylmethyl-(1,1-dioxo-1,4-thiazinane-4-carbonyl)amino]acetic acid
SMILESO=C(O)CN(CC1CC1)C(=O)N1CCS(=O)(=O)CC1
InChIInChI=1S/C11H18N2O5S/c14-10(15)8-13(7-9-1-2-9)11(16)12-3-5-19(17,18)6-4-12/h9H,1-8H2,(H,14,15)
InChIKeyLPNRNBSJOMIPQQ-UHFFFAOYSA-N
XLogP-0.37
TPSA94.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 5-0.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[cyclopropylmethyl-(1,1-dioxo-1,4-thiazinane-4-carbonyl)amino]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

Related Compounds

2-[cyclopropylmethyl(piperidine-1-carbonyl)amino]acetic acid
CID 43655845
2-[cyclopropylmethyl-[4-(hydroxymethyl)piperidine-1-carbonyl]amino]acetic acid
CID 43656071
2-[[4-[(dimethylamino)methyl]piperidine-1-carbonyl]-ethylamino]acetic acid
CID 54986151
2-[cyclopropylmethyl-(7,7-dimethyl-1,4-thiazepane-4-carbonyl)amino]acetic acid
CID 107457391
2-[1-[cyclopropylmethyl(propyl)carbamoyl]piperidin-4-yl]acetic acid
CID 79606564
N-(cyclopropylmethyl)-N-propylpyrrolidine-1-carboxamide
CID 115578768
2-[1-[cyclopropylmethyl(ethyl)carbamoyl]piperidin-4-yl]acetic acid
CID 79606749
2-[cyclopropylmethyl-(3-methoxy-3-methylpiperidine-1-carbonyl)amino]acetic acid
CID 107393992
2-[ethyl-[4-(hydroxymethyl)piperidine-1-carbonyl]amino]acetic acid
CID 61195912
2-[cyclopropylmethyl-[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]amino]acetic acid
CID 114412142
2-[cyclopropylmethyl-[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]amino]acetic acid
CID 62889383
2-[carboxymethyl-(4,4-dimethylpiperidine-1-carbonyl)amino]acetic acid
CID 63645830

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl-(1,1-dioxo-1,4-thiazinane-4-carbonyl)amino]acetic acid?
The IUPAC name of 2-[cyclopropylmethyl-(1,1-dioxo-1,4-thiazinane-4-carbonyl)amino]acetic acid (CID 43656162) is 2-[cyclopropylmethyl-(1,1-dioxo-1,4-thiazinane-4-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopropylmethyl-(1,1-dioxo-1,4-thiazinane-4-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[cyclopropylmethyl-(1,1-dioxo-1,4-thiazinane-4-carbonyl)amino]acetic acid is O=C(O)CN(CC1CC1)C(=O)N1CCS(=O)(=O)CC1.
What is the InChIKey of 2-[cyclopropylmethyl-(1,1-dioxo-1,4-thiazinane-4-carbonyl)amino]acetic acid?
The InChIKey is LPNRNBSJOMIPQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O5S/c14-10(15)8-13(7-9-1-2-9)11(16)12-3-5-19(17,18)6-4-12/h9H,1-8H2,(H,14,15).
What are the key properties of 2-[cyclopropylmethyl-(1,1-dioxo-1,4-thiazinane-4-carbonyl)amino]acetic acid?
2-[cyclopropylmethyl-(1,1-dioxo-1,4-thiazinane-4-carbonyl)amino]acetic acid has a molecular weight of 290.34 g/mol, XLogP of -0.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl-(1,1-dioxo-1,4-thiazinane-4-carbonyl)amino]acetic acid is sourced from PubChem (CID 43656162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).