2-amino-2-cyclopropyl-3-(1-oxo-1,4-thiazinan-4-yl)propanoic acid

C10H18N2O3S — CID 63909774

IUPAC2-amino-2-cyclopropyl-3-(1-oxo-1,4-thiazinan-4-yl)propanoic acid
SMILESNC(CN1CCS(=O)CC1)(C(=O)O)C1CC1
InChIInChI=1S/C10H18N2O3S/c11-10(9(13)14,8-1-2-8)7-12-3-5-16(15)6-4-12/h8H,1-7,11H2,(H,13,14)
InChIKeyBGYHHCLISWYYNR-UHFFFAOYSA-N
MW246.33 g/mol
LogP-0.76
Rot. Bonds4

About 2-amino-2-cyclopropyl-3-(1-oxo-1,4-thiazinan-4-yl)propanoic acid

2-amino-2-cyclopropyl-3-(1-oxo-1,4-thiazinan-4-yl)propanoic acid (PubChem CID 63909774) has the molecular formula C10H18N2O3S and a molecular weight of 246.33 g/mol. Its IUPAC name is 2-amino-2-cyclopropyl-3-(1-oxo-1,4-thiazinan-4-yl)propanoic acid.

Molecular Properties

Compound Name2-amino-2-cyclopropyl-3-(1-oxo-1,4-thiazinan-4-yl)propanoic acid
PubChem CID63909774
Molecular FormulaC10H18N2O3S
Molecular Weight246.33 g/mol
Exact Mass246.10
IUPAC Name2-amino-2-cyclopropyl-3-(1-oxo-1,4-thiazinan-4-yl)propanoic acid
SMILESNC(CN1CCS(=O)CC1)(C(=O)O)C1CC1
InChIInChI=1S/C10H18N2O3S/c11-10(9(13)14,8-1-2-8)7-12-3-5-16(15)6-4-12/h8H,1-7,11H2,(H,13,14)
InChIKeyBGYHHCLISWYYNR-UHFFFAOYSA-N
XLogP-0.76
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 5-0.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-(4-tert-butylpiperazin-1-yl)-2-cyclopropylpropanoic acid
CID 63909663
2-amino-2-cyclopropyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanoic acid
CID 66371178
2-amino-2-cyclopropyl-3-(3,3,4-trimethylpiperazin-1-yl)propanoic acid
CID 63926025
methyl 2-amino-3-(azepan-1-yl)-2-cyclopropylpropanoate
CID 63907282
2-amino-2-cyclopropyl-3-(3-ethoxypiperidin-1-yl)propanoic acid
CID 63916274
ethyl 2-amino-3-(azepan-1-yl)-2-cyclopropylpropanoate
CID 63907466
2-amino-2-cyclopropyl-3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)propanoic acid
CID 81199839
3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-amino-2-cyclopropylpropanoic acid
CID 82751459
2-amino-2-cyclopropyl-3-(2,2-dimethylpyrrolidin-1-yl)propanoic acid
CID 63925019
2-amino-2-cyclopropyl-3-(4-piperidin-1-ylpiperidin-1-yl)propanamide
CID 63909753
2-amino-3-(8-azaspiro[4.5]decan-8-yl)-2-cyclopropylpropanamide
CID 63926414
methyl 2-amino-2-cyclopropyl-3-(4-methyl-1,4-diazepan-1-yl)propanoate
CID 63908493

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-cyclopropyl-3-(1-oxo-1,4-thiazinan-4-yl)propanoic acid?
The IUPAC name of 2-amino-2-cyclopropyl-3-(1-oxo-1,4-thiazinan-4-yl)propanoic acid (CID 63909774) is 2-amino-2-cyclopropyl-3-(1-oxo-1,4-thiazinan-4-yl)propanoic acid.
What is the SMILES notation for 2-amino-2-cyclopropyl-3-(1-oxo-1,4-thiazinan-4-yl)propanoic acid?
The canonical SMILES for 2-amino-2-cyclopropyl-3-(1-oxo-1,4-thiazinan-4-yl)propanoic acid is NC(CN1CCS(=O)CC1)(C(=O)O)C1CC1.
What is the InChIKey of 2-amino-2-cyclopropyl-3-(1-oxo-1,4-thiazinan-4-yl)propanoic acid?
The InChIKey is BGYHHCLISWYYNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3S/c11-10(9(13)14,8-1-2-8)7-12-3-5-16(15)6-4-12/h8H,1-7,11H2,(H,13,14).
What are the key properties of 2-amino-2-cyclopropyl-3-(1-oxo-1,4-thiazinan-4-yl)propanoic acid?
2-amino-2-cyclopropyl-3-(1-oxo-1,4-thiazinan-4-yl)propanoic acid has a molecular weight of 246.33 g/mol, XLogP of -0.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-cyclopropyl-3-(1-oxo-1,4-thiazinan-4-yl)propanoic acid is sourced from PubChem (CID 63909774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).