cis-(1R,3S)-3-[2-(5-phenyltetrazol-2-yl)propanoylamino]cyclopentane-1-carboxylic acid

C16H19N5O3 — CID 120678868

IUPACcis-(1R,3S)-3-[2-(5-phenyltetrazol-2-yl)propanoylamino]cyclopentane-1-carboxylic acid
SMILESCC(C(=O)N[C@H]1CC[C@@H](C(=O)O)C1)n1nnc(-c2ccccc2)n1
InChIInChI=1S/C16H19N5O3/c1-10(15(22)17-13-8-7-12(9-13)16(23)24)21-19-14(18-20-21)11-5-3-2-4-6-11/h2-6,10,12-13H,7-9H2,1H3,(H,17,22)(H,23,24)/t10?,12-,13+/m1/s1
InChIKeyLITLMVFQRZOEDL-SOYIIFOFSA-N
MW329.36 g/mol
LogP1.27
Rot. Bonds5

About cis-(1R,3S)-3-[2-(5-phenyltetrazol-2-yl)propanoylamino]cyclopentane-1-carboxylic acid

cis-(1R,3S)-3-[2-(5-phenyltetrazol-2-yl)propanoylamino]cyclopentane-1-carboxylic acid (PubChem CID 120678868) has the molecular formula C16H19N5O3 and a molecular weight of 329.36 g/mol. Its IUPAC name is cis-(1R,3S)-3-[2-(5-phenyltetrazol-2-yl)propanoylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-[2-(5-phenyltetrazol-2-yl)propanoylamino]cyclopentane-1-carboxylic acid
PubChem CID120678868
Molecular FormulaC16H19N5O3
Molecular Weight329.36 g/mol
Exact Mass329.15
IUPAC Namecis-(1R,3S)-3-[2-(5-phenyltetrazol-2-yl)propanoylamino]cyclopentane-1-carboxylic acid
SMILESCC(C(=O)N[C@H]1CC[C@@H](C(=O)O)C1)n1nnc(-c2ccccc2)n1
InChIInChI=1S/C16H19N5O3/c1-10(15(22)17-13-8-7-12(9-13)16(23)24)21-19-14(18-20-21)11-5-3-2-4-6-11/h2-6,10,12-13H,7-9H2,1H3,(H,17,22)(H,23,24)/t10?,12-,13+/m1/s1
InChIKeyLITLMVFQRZOEDL-SOYIIFOFSA-N
XLogP1.27
TPSA110.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-3-methyl-N-(3-methylcyclobutyl)-2-(5-phenyltetrazol-2-yl)butanamide
CID 97319224
3-methyl-N-(2-methylpiperidin-4-yl)-2-(5-phenyltetrazol-2-yl)butanamide;hydrochloride
CID 120600412
(2S)-N-cyclopropyl-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]propanamide
CID 30396293
N-(6-cyclopropylpyridazin-3-yl)-2-(5-phenyltetrazol-2-yl)propanamide
CID 71869195
N-(2-methylcyclohexyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]propanamide
CID 42982198
3-methyl-2-(5-phenyltetrazol-2-yl)-N-piperidin-4-ylbutanamide
CID 119386255
N-[2-(methylamino)ethyl]-2-(5-phenyltetrazol-2-yl)propanamide;hydrochloride
CID 119504464
N-[3-(methylamino)propyl]-2-(5-phenyltetrazol-2-yl)propanamide
CID 119434349
2,2-dimethyl-3-[2-(5-phenyltetrazol-2-yl)propanoylamino]propanoic acid
CID 119250098
1-(4-hydroxypiperidin-1-yl)-2-(5-phenyltetrazol-2-yl)propan-1-one
CID 111470117
5-methyl-1-[3-methyl-2-(5-phenyltetrazol-2-yl)butanoyl]piperidine-3-carboxylic acid
CID 122119830
N-(1-amino-4-methylpentan-2-yl)-2-(5-phenyltetrazol-2-yl)propanamide;hydrochloride
CID 119588881

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[2-(5-phenyltetrazol-2-yl)propanoylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-[2-(5-phenyltetrazol-2-yl)propanoylamino]cyclopentane-1-carboxylic acid (CID 120678868) is cis-(1R,3S)-3-[2-(5-phenyltetrazol-2-yl)propanoylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-[2-(5-phenyltetrazol-2-yl)propanoylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-[2-(5-phenyltetrazol-2-yl)propanoylamino]cyclopentane-1-carboxylic acid is CC(C(=O)N[C@H]1CC[C@@H](C(=O)O)C1)n1nnc(-c2ccccc2)n1.
What is the InChIKey of cis-(1R,3S)-3-[2-(5-phenyltetrazol-2-yl)propanoylamino]cyclopentane-1-carboxylic acid?
The InChIKey is LITLMVFQRZOEDL-SOYIIFOFSA-N. The full InChI is InChI=1S/C16H19N5O3/c1-10(15(22)17-13-8-7-12(9-13)16(23)24)21-19-14(18-20-21)11-5-3-2-4-6-11/h2-6,10,12-13H,7-9H2,1H3,(H,17,22)(H,23,24)/t10?,12-,13+/m1/s1.
What are the key properties of cis-(1R,3S)-3-[2-(5-phenyltetrazol-2-yl)propanoylamino]cyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-[2-(5-phenyltetrazol-2-yl)propanoylamino]cyclopentane-1-carboxylic acid has a molecular weight of 329.36 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-[2-(5-phenyltetrazol-2-yl)propanoylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 120678868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).