cis-(1R,3S)-3-[[2-(1H-pyrazol-5-yl)acetyl]amino]cyclopentane-1-carboxylic acid

C11H15N3O3 — CID 106320327

IUPACcis-(1R,3S)-3-[[2-(1H-pyrazol-5-yl)acetyl]amino]cyclopentane-1-carboxylic acid
SMILESO=C(Cc1ccn[nH]1)N[C@H]1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C11H15N3O3/c15-10(6-9-3-4-12-14-9)13-8-2-1-7(5-8)11(16)17/h3-4,7-8H,1-2,5-6H2,(H,12,14)(H,13,15)(H,16,17)/t7-,8+/m1/s1
InChIKeyMIEBNCOGFIADJW-SFYZADRCSA-N
MW237.26 g/mol
LogP0.32
Rot. Bonds4

About cis-(1R,3S)-3-[[2-(1H-pyrazol-5-yl)acetyl]amino]cyclopentane-1-carboxylic acid

cis-(1R,3S)-3-[[2-(1H-pyrazol-5-yl)acetyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 106320327) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is cis-(1R,3S)-3-[[2-(1H-pyrazol-5-yl)acetyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-[[2-(1H-pyrazol-5-yl)acetyl]amino]cyclopentane-1-carboxylic acid
PubChem CID106320327
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Namecis-(1R,3S)-3-[[2-(1H-pyrazol-5-yl)acetyl]amino]cyclopentane-1-carboxylic acid
SMILESO=C(Cc1ccn[nH]1)N[C@H]1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C11H15N3O3/c15-10(6-9-3-4-12-14-9)13-8-2-1-7(5-8)11(16)17/h3-4,7-8H,1-2,5-6H2,(H,12,14)(H,13,15)(H,16,17)/t7-,8+/m1/s1
InChIKeyMIEBNCOGFIADJW-SFYZADRCSA-N
XLogP0.32
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[[2-(1H-pyrazol-5-yl)acetyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-[[2-(1H-pyrazol-5-yl)acetyl]amino]cyclopentane-1-carboxylic acid (CID 106320327) is cis-(1R,3S)-3-[[2-(1H-pyrazol-5-yl)acetyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-[[2-(1H-pyrazol-5-yl)acetyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-[[2-(1H-pyrazol-5-yl)acetyl]amino]cyclopentane-1-carboxylic acid is O=C(Cc1ccn[nH]1)N[C@H]1CC[C@@H](C(=O)O)C1.
What is the InChIKey of cis-(1R,3S)-3-[[2-(1H-pyrazol-5-yl)acetyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is MIEBNCOGFIADJW-SFYZADRCSA-N. The full InChI is InChI=1S/C11H15N3O3/c15-10(6-9-3-4-12-14-9)13-8-2-1-7(5-8)11(16)17/h3-4,7-8H,1-2,5-6H2,(H,12,14)(H,13,15)(H,16,17)/t7-,8+/m1/s1.
What are the key properties of cis-(1R,3S)-3-[[2-(1H-pyrazol-5-yl)acetyl]amino]cyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-[[2-(1H-pyrazol-5-yl)acetyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 237.26 g/mol, XLogP of 0.32, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-[[2-(1H-pyrazol-5-yl)acetyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 106320327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).