1-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]cyclopentane-1-carboxylic acid

C12H17N5O3S — CID 43169495

IUPAC1-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]cyclopentane-1-carboxylic acid
SMILESO=C(CSc1nnnn1C1CC1)NC1(C(=O)O)CCCC1
InChIInChI=1S/C12H17N5O3S/c18-9(13-12(10(19)20)5-1-2-6-12)7-21-11-14-15-16-17(11)8-3-4-8/h8H,1-7H2,(H,13,18)(H,19,20)
InChIKeyRAIRXRWAFGPMLK-UHFFFAOYSA-N
MW311.37 g/mol
LogP0.61
Rot. Bonds6

About 1-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]cyclopentane-1-carboxylic acid

1-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 43169495) has the molecular formula C12H17N5O3S and a molecular weight of 311.37 g/mol. Its IUPAC name is 1-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]cyclopentane-1-carboxylic acid
PubChem CID43169495
Molecular FormulaC12H17N5O3S
Molecular Weight311.37 g/mol
Exact Mass311.11
IUPAC Name1-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]cyclopentane-1-carboxylic acid
SMILESO=C(CSc1nnnn1C1CC1)NC1(C(=O)O)CCCC1
InChIInChI=1S/C12H17N5O3S/c18-9(13-12(10(19)20)5-1-2-6-12)7-21-11-14-15-16-17(11)8-3-4-8/h8H,1-7H2,(H,13,18)(H,19,20)
InChIKeyRAIRXRWAFGPMLK-UHFFFAOYSA-N
XLogP0.61
TPSA110.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.37
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-[[2-(1-Cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]hexanoic acid
CID 43241520
2-[[2-(1-Cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-4-methylpentanoic acid
CID 43241546
2-[[2-(1-Cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-3-methylpentanoic acid
CID 43241547
1-[[2-[(4-Cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]cyclopentane-1-carboxylic acid
CID 43351018
1-[[2-[(4-Propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]cyclopentane-1-carboxylic acid
CID 43351288
2-Cyclopropyl-2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]propanoic acid
CID 43360403
2-[[2-(1-Cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]hexanoic acid
CID 43469732
2-[[2-(1-Cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-2-methylpentanoic acid
CID 43619043
2-[[2-(1-Cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]pentanoic acid
CID 43631018
(2S)-2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-4-methylpentanoic acid
CID 61136806
(2S,3S)-2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-3-methylpentanoic acid
CID 61137077
(2S)-2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-3-methylpentanoic acid
CID 61172568

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]cyclopentane-1-carboxylic acid (CID 43169495) is 1-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]cyclopentane-1-carboxylic acid is O=C(CSc1nnnn1C1CC1)NC1(C(=O)O)CCCC1.
What is the InChIKey of 1-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is RAIRXRWAFGPMLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O3S/c18-9(13-12(10(19)20)5-1-2-6-12)7-21-11-14-15-16-17(11)8-3-4-8/h8H,1-7H2,(H,13,18)(H,19,20).
What are the key properties of 1-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]cyclopentane-1-carboxylic acid?
1-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 311.37 g/mol, XLogP of 0.61, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 43169495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).