2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]carbamoyl]cyclopropane-1-carboxylic acid

C11H14N2O3S — CID 54875988

IUPAC2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]carbamoyl]cyclopropane-1-carboxylic acid
SMILESCc1ncc(CN(C)C(=O)C2CC2C(=O)O)s1
InChIInChI=1S/C11H14N2O3S/c1-6-12-4-7(17-6)5-13(2)10(14)8-3-9(8)11(15)16/h4,8-9H,3,5H2,1-2H3,(H,15,16)
InChIKeyIDTCCZVFTLOWLG-UHFFFAOYSA-N
MW254.31 g/mol
LogP1.13
Rot. Bonds4

About 2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]carbamoyl]cyclopropane-1-carboxylic acid

2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]carbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 54875988) has the molecular formula C11H14N2O3S and a molecular weight of 254.31 g/mol. Its IUPAC name is 2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]carbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]carbamoyl]cyclopropane-1-carboxylic acid
PubChem CID54875988
Molecular FormulaC11H14N2O3S
Molecular Weight254.31 g/mol
Exact Mass254.07
IUPAC Name2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]carbamoyl]cyclopropane-1-carboxylic acid
SMILESCc1ncc(CN(C)C(=O)C2CC2C(=O)O)s1
InChIInChI=1S/C11H14N2O3S/c1-6-12-4-7(17-6)5-13(2)10(14)8-3-9(8)11(15)16/h4,8-9H,3,5H2,1-2H3,(H,15,16)
InChIKeyIDTCCZVFTLOWLG-UHFFFAOYSA-N
XLogP1.13
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-3-methyl-5-[methyl(1,3-thiazol-5-ylmethyl)amino]-5-oxopentanoic acid
CID 70076569
(2R)-2-amino-3-methyl-5-[methyl(1,3-thiazol-5-ylmethyl)amino]-5-oxopentanoic acid
CID 70077525
(2S)-4-[methyl(1,3-thiazol-5-ylmethyl)amino]-4-oxo-2-propan-2-ylbutanoic acid
CID 89929961
N-methyl-2-[(3R)-2-oxooxolan-3-yl]-N-(1,3-thiazol-5-ylmethyl)acetamide
CID 89929962
(2R)-2-(2-hydroxyethyl)-4-[methyl(1,3-thiazol-5-ylmethyl)amino]-4-oxobutanoic acid
CID 89929963
6-[Methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]-6-oxohexanoic acid
CID 54875978
5-[Methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]-5-oxopentanoic acid
CID 54876002
3-Methyl-5-[(2-methyl-1,3-thiazol-5-yl)methylamino]-5-oxopentanoic acid
CID 55155604
3,3-Dimethyl-5-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]-5-oxopentanoic acid
CID 55157306
2-[Methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 55260754
4-[Methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]-4-oxobutanoic acid
CID 60949394
2,2-Diethyl-4-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]-4-oxobutanoic acid
CID 60949643

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]carbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]carbamoyl]cyclopropane-1-carboxylic acid (CID 54875988) is 2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]carbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]carbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]carbamoyl]cyclopropane-1-carboxylic acid is Cc1ncc(CN(C)C(=O)C2CC2C(=O)O)s1.
What is the InChIKey of 2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]carbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is IDTCCZVFTLOWLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3S/c1-6-12-4-7(17-6)5-13(2)10(14)8-3-9(8)11(15)16/h4,8-9H,3,5H2,1-2H3,(H,15,16).
What are the key properties of 2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]carbamoyl]cyclopropane-1-carboxylic acid?
2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]carbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 254.31 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]carbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 54875988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).