cis-(1R,2S)-2-[[2-(4-cyclopropylpyrazol-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid

C14H19N3O3 — CID 136583479

IUPACcis-(1R,2S)-2-[[2-(4-cyclopropylpyrazol-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid
SMILESO=C(Cn1cc(C2CC2)cn1)N[C@H]1CCC[C@H]1C(=O)O
InChIInChI=1S/C14H19N3O3/c18-13(16-12-3-1-2-11(12)14(19)20)8-17-7-10(6-15-17)9-4-5-9/h6-7,9,11-12H,1-5,8H2,(H,16,18)(H,19,20)/t11-,12+/m1/s1
InChIKeyHUOQOJUIOJADFG-NEPJUHHUSA-N
MW277.32 g/mol
LogP1.13
Rot. Bonds5

About cis-(1R,2S)-2-[[2-(4-cyclopropylpyrazol-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid

cis-(1R,2S)-2-[[2-(4-cyclopropylpyrazol-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 136583479) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is cis-(1R,2S)-2-[[2-(4-cyclopropylpyrazol-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,2S)-2-[[2-(4-cyclopropylpyrazol-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid
PubChem CID136583479
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Namecis-(1R,2S)-2-[[2-(4-cyclopropylpyrazol-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid
SMILESO=C(Cn1cc(C2CC2)cn1)N[C@H]1CCC[C@H]1C(=O)O
InChIInChI=1S/C14H19N3O3/c18-13(16-12-3-1-2-11(12)14(19)20)8-17-7-10(6-15-17)9-4-5-9/h6-7,9,11-12H,1-5,8H2,(H,16,18)(H,19,20)/t11-,12+/m1/s1
InChIKeyHUOQOJUIOJADFG-NEPJUHHUSA-N
XLogP1.13
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-(4-cyclopropylpyrazol-1-yl)acetyl]amino]benzoic acid
CID 146135721
2-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]cyclopentane-1-carboxylic acid
CID 64813881
2-[[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 64814335
2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 64813049
2-[[1-[(4-methylphenyl)methyl]pyrazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 166296160
2-[(2-pyridin-3-ylacetyl)amino]cyclopentane-1-carboxylic acid
CID 64813919
trans-(1R,2R)-2-[[2-(2,5-dimethylphenyl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 95363924
tert-butyl 2-(4-cyclopropylpyrazol-1-yl)acetate
CID 70847647
2-[[2-[2-(aminomethyl)phenyl]acetyl]amino]cyclopentane-1-carboxylic acid
CID 81322034
2-[[2-(2-chlorophenyl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 64812051
2-[(2-methylpyrazol-3-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 64815607
2-(4-aminopyrazol-1-yl)-N-(2-methyloxolan-3-yl)acetamide
CID 82725311

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-[[2-(4-cyclopropylpyrazol-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,2S)-2-[[2-(4-cyclopropylpyrazol-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid (CID 136583479) is cis-(1R,2S)-2-[[2-(4-cyclopropylpyrazol-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,2S)-2-[[2-(4-cyclopropylpyrazol-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,2S)-2-[[2-(4-cyclopropylpyrazol-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid is O=C(Cn1cc(C2CC2)cn1)N[C@H]1CCC[C@H]1C(=O)O.
What is the InChIKey of cis-(1R,2S)-2-[[2-(4-cyclopropylpyrazol-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is HUOQOJUIOJADFG-NEPJUHHUSA-N. The full InChI is InChI=1S/C14H19N3O3/c18-13(16-12-3-1-2-11(12)14(19)20)8-17-7-10(6-15-17)9-4-5-9/h6-7,9,11-12H,1-5,8H2,(H,16,18)(H,19,20)/t11-,12+/m1/s1.
What are the key properties of cis-(1R,2S)-2-[[2-(4-cyclopropylpyrazol-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid?
cis-(1R,2S)-2-[[2-(4-cyclopropylpyrazol-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 277.32 g/mol, XLogP of 1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-[[2-(4-cyclopropylpyrazol-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 136583479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).