1-methyl-2-[(2-methylpyrazol-3-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid

C13H20N4O3 — CID 82765849

IUPAC1-methyl-2-[(2-methylpyrazol-3-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
SMILESCn1nccc1CNC(=O)NC1CCCC1(C)C(=O)O
InChIInChI=1S/C13H20N4O3/c1-13(11(18)19)6-3-4-10(13)16-12(20)14-8-9-5-7-15-17(9)2/h5,7,10H,3-4,6,8H2,1-2H3,(H,18,19)(H2,14,16,20)
InChIKeyNVCZZKOVXNGARX-UHFFFAOYSA-N
MW280.33 g/mol
LogP0.86
Rot. Bonds4

About 1-methyl-2-[(2-methylpyrazol-3-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid

1-methyl-2-[(2-methylpyrazol-3-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid (PubChem CID 82765849) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is 1-methyl-2-[(2-methylpyrazol-3-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-methyl-2-[(2-methylpyrazol-3-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
PubChem CID82765849
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC Name1-methyl-2-[(2-methylpyrazol-3-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
SMILESCn1nccc1CNC(=O)NC1CCCC1(C)C(=O)O
InChIInChI=1S/C13H20N4O3/c1-13(11(18)19)6-3-4-10(13)16-12(20)14-8-9-5-7-15-17(9)2/h5,7,10H,3-4,6,8H2,1-2H3,(H,18,19)(H2,14,16,20)
InChIKeyNVCZZKOVXNGARX-UHFFFAOYSA-N
XLogP0.86
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-methylpyrazol-3-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 64815607
4-methyl-1-[(2-methylpyrazol-3-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 63303718
2-[(5-chlorothiophen-2-yl)methylcarbamoylamino]-1-methylcyclopentane-1-carboxylic acid
CID 82763712
2-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoylamino]-1-methylcyclopentane-1-carboxylic acid
CID 106374336
2-(2-acetamidoethylcarbamoylamino)-1-methylcyclopentane-1-carboxylic acid
CID 82762512
4-[(2-methylpyrazol-3-yl)methylcarbamoylamino]oxolane-3-carboxylic acid
CID 66238579
1-[(1-hydroxycyclohexyl)methyl]-3-[(2-methylpyrazol-3-yl)methyl]urea
CID 110936584
1-(dicyclopropylmethyl)-3-[(2-methylpyrazol-3-yl)methyl]urea
CID 36977921
2-cyclohexyl-2-[(2-methylpyrazol-3-yl)methylcarbamoylamino]acetic acid
CID 63303976
1-amino-N-[(2-methylpyrazol-3-yl)methyl]cyclopentane-1-carboxamide
CID 63302989
1-methyl-2-(3-methylbut-2-enylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106191575
1-methyl-2-(phenylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 82762976

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[(2-methylpyrazol-3-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-methyl-2-[(2-methylpyrazol-3-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid (CID 82765849) is 1-methyl-2-[(2-methylpyrazol-3-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-methyl-2-[(2-methylpyrazol-3-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-methyl-2-[(2-methylpyrazol-3-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid is Cn1nccc1CNC(=O)NC1CCCC1(C)C(=O)O.
What is the InChIKey of 1-methyl-2-[(2-methylpyrazol-3-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid?
The InChIKey is NVCZZKOVXNGARX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-13(11(18)19)6-3-4-10(13)16-12(20)14-8-9-5-7-15-17(9)2/h5,7,10H,3-4,6,8H2,1-2H3,(H,18,19)(H2,14,16,20).
What are the key properties of 1-methyl-2-[(2-methylpyrazol-3-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid?
1-methyl-2-[(2-methylpyrazol-3-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid has a molecular weight of 280.33 g/mol, XLogP of 0.86, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[(2-methylpyrazol-3-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 82765849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).