cis-(1S,2R)-2-[[2-(2-tert-butyltetrazol-5-yl)acetyl]amino]cyclopentane-1-carboxylic acid

C13H21N5O3 — CID 136583480

IUPACcis-(1S,2R)-2-[[2-(2-tert-butyltetrazol-5-yl)acetyl]amino]cyclopentane-1-carboxylic acid
SMILESCC(C)(C)n1nnc(CC(=O)N[C@@H]2CCC[C@@H]2C(=O)O)n1
InChIInChI=1S/C13H21N5O3/c1-13(2,3)18-16-10(15-17-18)7-11(19)14-9-6-4-5-8(9)12(20)21/h8-9H,4-7H2,1-3H3,(H,14,19)(H,20,21)/t8-,9+/m0/s1
InChIKeyVOSYMRURADQCHL-DTWKUNHWSA-N
MW295.34 g/mol
LogP0.34
Rot. Bonds4

About cis-(1S,2R)-2-[[2-(2-tert-butyltetrazol-5-yl)acetyl]amino]cyclopentane-1-carboxylic acid

cis-(1S,2R)-2-[[2-(2-tert-butyltetrazol-5-yl)acetyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 136583480) has the molecular formula C13H21N5O3 and a molecular weight of 295.34 g/mol. Its IUPAC name is cis-(1S,2R)-2-[[2-(2-tert-butyltetrazol-5-yl)acetyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,2R)-2-[[2-(2-tert-butyltetrazol-5-yl)acetyl]amino]cyclopentane-1-carboxylic acid
PubChem CID136583480
Molecular FormulaC13H21N5O3
Molecular Weight295.34 g/mol
Exact Mass295.16
IUPAC Namecis-(1S,2R)-2-[[2-(2-tert-butyltetrazol-5-yl)acetyl]amino]cyclopentane-1-carboxylic acid
SMILESCC(C)(C)n1nnc(CC(=O)N[C@@H]2CCC[C@@H]2C(=O)O)n1
InChIInChI=1S/C13H21N5O3/c1-13(2,3)18-16-10(15-17-18)7-11(19)14-9-6-4-5-8(9)12(20)21/h8-9H,4-7H2,1-3H3,(H,14,19)(H,20,21)/t8-,9+/m0/s1
InChIKeyVOSYMRURADQCHL-DTWKUNHWSA-N
XLogP0.34
TPSA110.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-methoxypropanoylamino)cyclopentane-1-carboxylic acid
CID 64813718
2-[(2-methoxyacetyl)amino]cyclopentane-1-carboxylic acid
CID 64814951
2-[[2-(propylamino)acetyl]amino]cyclopentane-1-carboxylic acid
CID 64813097
2-[[(2-methyltetrazol-5-yl)methylamino]methyl]cyclopentane-1-carboxylic acid
CID 107044975
2-(2,2-dimethylbutanoylamino)cyclopentane-1-carboxylic acid
CID 64814112
2-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]cyclopentane-1-carboxylic acid
CID 64813881
2-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]cyclohexane-1-carboxylic acid
CID 64812284
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
cis-(1S,2R)-2-[[2-(4-ethylsulfonylphenyl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 136583590
cis-(1R,2S)-2-[[2-(4-cyclopropylpyrazol-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 136583479
2-[[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 64814335

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-[[2-(2-tert-butyltetrazol-5-yl)acetyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1S,2R)-2-[[2-(2-tert-butyltetrazol-5-yl)acetyl]amino]cyclopentane-1-carboxylic acid (CID 136583480) is cis-(1S,2R)-2-[[2-(2-tert-butyltetrazol-5-yl)acetyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,2R)-2-[[2-(2-tert-butyltetrazol-5-yl)acetyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1S,2R)-2-[[2-(2-tert-butyltetrazol-5-yl)acetyl]amino]cyclopentane-1-carboxylic acid is CC(C)(C)n1nnc(CC(=O)N[C@@H]2CCC[C@@H]2C(=O)O)n1.
What is the InChIKey of cis-(1S,2R)-2-[[2-(2-tert-butyltetrazol-5-yl)acetyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is VOSYMRURADQCHL-DTWKUNHWSA-N. The full InChI is InChI=1S/C13H21N5O3/c1-13(2,3)18-16-10(15-17-18)7-11(19)14-9-6-4-5-8(9)12(20)21/h8-9H,4-7H2,1-3H3,(H,14,19)(H,20,21)/t8-,9+/m0/s1.
What are the key properties of cis-(1S,2R)-2-[[2-(2-tert-butyltetrazol-5-yl)acetyl]amino]cyclopentane-1-carboxylic acid?
cis-(1S,2R)-2-[[2-(2-tert-butyltetrazol-5-yl)acetyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 295.34 g/mol, XLogP of 0.34, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-[[2-(2-tert-butyltetrazol-5-yl)acetyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 136583480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).