1-[amino(1,3-thiazol-2-yl)methyl]cyclobutane-1-carboxylic acid

C9H12N2O2S — CID 130575362

IUPAC1-[amino(1,3-thiazol-2-yl)methyl]cyclobutane-1-carboxylic acid
SMILESNC(c1nccs1)C1(C(=O)O)CCC1
InChIInChI=1S/C9H12N2O2S/c10-6(7-11-4-5-14-7)9(8(12)13)2-1-3-9/h4-6H,1-3,10H2,(H,12,13)
InChIKeyZTLOVFVGDQVFIY-UHFFFAOYSA-N
MW212.27 g/mol
LogP1.40
Rot. Bonds3

About 1-[amino(1,3-thiazol-2-yl)methyl]cyclobutane-1-carboxylic acid

1-[amino(1,3-thiazol-2-yl)methyl]cyclobutane-1-carboxylic acid (PubChem CID 130575362) has the molecular formula C9H12N2O2S and a molecular weight of 212.27 g/mol. Its IUPAC name is 1-[amino(1,3-thiazol-2-yl)methyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[amino(1,3-thiazol-2-yl)methyl]cyclobutane-1-carboxylic acid
PubChem CID130575362
Molecular FormulaC9H12N2O2S
Molecular Weight212.27 g/mol
Exact Mass212.06
IUPAC Name1-[amino(1,3-thiazol-2-yl)methyl]cyclobutane-1-carboxylic acid
SMILESNC(c1nccs1)C1(C(=O)O)CCC1
InChIInChI=1S/C9H12N2O2S/c10-6(7-11-4-5-14-7)9(8(12)13)2-1-3-9/h4-6H,1-3,10H2,(H,12,13)
InChIKeyZTLOVFVGDQVFIY-UHFFFAOYSA-N
XLogP1.40
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-2-(1,3-thiazol-2-yl)acetic acid
CID 22823511
4-amino-4-(1,3-thiazol-2-yl)butanoic acid
CID 82602307
1-[amino-(1-methylpyrazol-4-yl)methyl]cyclobutane-1-carboxylic acid
CID 130575386
methyl (2R,3R)-2-amino-3-hydroxy-3-(1,3-thiazol-2-yl)propanoate
CID 23243531
3-methyl-1-[1-(1,3-thiazol-2-yl)ethyl]piperidine-3-carboxylic acid
CID 65069204
hydroxysulfanyl(1,3-thiazol-2-yl)methanamine
CID 143542329
(2S)-2-amino-2-(1,3-thiazol-2-yl)ethanol
CID 96733513
2-[1-(1,3-thiazol-2-ylamino)cyclobutyl]acetic acid
CID 79846026
3-[1-(1,3-thiazol-2-yl)ethylcarbamoylamino]oxolane-3-carboxylic acid
CID 64893085
1-[(1-ethylcyclobutyl)methyl]-3-[(1S)-1-(1,3-thiazol-2-yl)ethyl]urea
CID 96535038
1-(N'-hydroxycarbamimidoyl)-N-[1-(1,3-thiazol-2-yl)ethyl]cyclopentane-1-carboxamide
CID 77045292
2-methyl-1-(1,3-thiazol-2-yl)cyclopentane-1-carboxylic acid
CID 130948762

Frequently Asked Questions

What is the IUPAC name of 1-[amino(1,3-thiazol-2-yl)methyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[amino(1,3-thiazol-2-yl)methyl]cyclobutane-1-carboxylic acid (CID 130575362) is 1-[amino(1,3-thiazol-2-yl)methyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[amino(1,3-thiazol-2-yl)methyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[amino(1,3-thiazol-2-yl)methyl]cyclobutane-1-carboxylic acid is NC(c1nccs1)C1(C(=O)O)CCC1.
What is the InChIKey of 1-[amino(1,3-thiazol-2-yl)methyl]cyclobutane-1-carboxylic acid?
The InChIKey is ZTLOVFVGDQVFIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2S/c10-6(7-11-4-5-14-7)9(8(12)13)2-1-3-9/h4-6H,1-3,10H2,(H,12,13).
What are the key properties of 1-[amino(1,3-thiazol-2-yl)methyl]cyclobutane-1-carboxylic acid?
1-[amino(1,3-thiazol-2-yl)methyl]cyclobutane-1-carboxylic acid has a molecular weight of 212.27 g/mol, XLogP of 1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[amino(1,3-thiazol-2-yl)methyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 130575362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).