N-[(1R,2S)-2-(2,3-dihydro-1H-inden-2-ylamino)cyclobutyl]-3-(tetrazol-1-yl)propanamide

C17H22N6O — CID 133133027

IUPACN-[(1R,2S)-2-(2,3-dihydro-1H-inden-2-ylamino)cyclobutyl]-3-(tetrazol-1-yl)propanamide
SMILESO=C(CCn1cnnn1)N[C@@H]1CC[C@@H]1NC1Cc2ccccc2C1
InChIInChI=1S/C17H22N6O/c24-17(7-8-23-11-18-21-22-23)20-16-6-5-15(16)19-14-9-12-3-1-2-4-13(12)10-14/h1-4,11,14-16,19H,5-10H2,(H,20,24)/t15-,16+/m0/s1
InChIKeyKXXJCBLJMKKZLU-JKSUJKDBSA-N
MW326.40 g/mol
LogP0.47
Rot. Bonds6

About N-[(1R,2S)-2-(2,3-dihydro-1H-inden-2-ylamino)cyclobutyl]-3-(tetrazol-1-yl)propanamide

N-[(1R,2S)-2-(2,3-dihydro-1H-inden-2-ylamino)cyclobutyl]-3-(tetrazol-1-yl)propanamide (PubChem CID 133133027) has the molecular formula C17H22N6O and a molecular weight of 326.40 g/mol. Its IUPAC name is N-[(1R,2S)-2-(2,3-dihydro-1H-inden-2-ylamino)cyclobutyl]-3-(tetrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[(1R,2S)-2-(2,3-dihydro-1H-inden-2-ylamino)cyclobutyl]-3-(tetrazol-1-yl)propanamide
PubChem CID133133027
Molecular FormulaC17H22N6O
Molecular Weight326.40 g/mol
Exact Mass326.19
IUPAC NameN-[(1R,2S)-2-(2,3-dihydro-1H-inden-2-ylamino)cyclobutyl]-3-(tetrazol-1-yl)propanamide
SMILESO=C(CCn1cnnn1)N[C@@H]1CC[C@@H]1NC1Cc2ccccc2C1
InChIInChI=1S/C17H22N6O/c24-17(7-8-23-11-18-21-22-23)20-16-6-5-15(16)19-14-9-12-3-1-2-4-13(12)10-14/h1-4,11,14-16,19H,5-10H2,(H,20,24)/t15-,16+/m0/s1
InChIKeyKXXJCBLJMKKZLU-JKSUJKDBSA-N
XLogP0.47
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-(2,3-dihydro-1H-inden-2-ylamino)cyclobutyl]-3-(tetrazol-1-yl)propanamide?
The IUPAC name of N-[(1R,2S)-2-(2,3-dihydro-1H-inden-2-ylamino)cyclobutyl]-3-(tetrazol-1-yl)propanamide (CID 133133027) is N-[(1R,2S)-2-(2,3-dihydro-1H-inden-2-ylamino)cyclobutyl]-3-(tetrazol-1-yl)propanamide.
What is the SMILES notation for N-[(1R,2S)-2-(2,3-dihydro-1H-inden-2-ylamino)cyclobutyl]-3-(tetrazol-1-yl)propanamide?
The canonical SMILES for N-[(1R,2S)-2-(2,3-dihydro-1H-inden-2-ylamino)cyclobutyl]-3-(tetrazol-1-yl)propanamide is O=C(CCn1cnnn1)N[C@@H]1CC[C@@H]1NC1Cc2ccccc2C1.
What is the InChIKey of N-[(1R,2S)-2-(2,3-dihydro-1H-inden-2-ylamino)cyclobutyl]-3-(tetrazol-1-yl)propanamide?
The InChIKey is KXXJCBLJMKKZLU-JKSUJKDBSA-N. The full InChI is InChI=1S/C17H22N6O/c24-17(7-8-23-11-18-21-22-23)20-16-6-5-15(16)19-14-9-12-3-1-2-4-13(12)10-14/h1-4,11,14-16,19H,5-10H2,(H,20,24)/t15-,16+/m0/s1.
What are the key properties of N-[(1R,2S)-2-(2,3-dihydro-1H-inden-2-ylamino)cyclobutyl]-3-(tetrazol-1-yl)propanamide?
N-[(1R,2S)-2-(2,3-dihydro-1H-inden-2-ylamino)cyclobutyl]-3-(tetrazol-1-yl)propanamide has a molecular weight of 326.40 g/mol, XLogP of 0.47, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2-(2,3-dihydro-1H-inden-2-ylamino)cyclobutyl]-3-(tetrazol-1-yl)propanamide is sourced from PubChem (CID 133133027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).