1-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-2-(5-methyltetrazol-1-yl)ethanone

C11H18N6O — CID 72924284

IUPAC1-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-2-(5-methyltetrazol-1-yl)ethanone
SMILESCc1nnnn1CC(=O)N1C[C@H](C2CC2)[C@@H](N)C1
InChIInChI=1S/C11H18N6O/c1-7-13-14-15-17(7)6-11(18)16-4-9(8-2-3-8)10(12)5-16/h8-10H,2-6,12H2,1H3/t9-,10+/m1/s1
InChIKeySAYHIGCBVVHENY-ZJUUUORDSA-N
MW250.31 g/mol
LogP-0.82
Rot. Bonds3

About 1-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-2-(5-methyltetrazol-1-yl)ethanone

1-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-2-(5-methyltetrazol-1-yl)ethanone (PubChem CID 72924284) has the molecular formula C11H18N6O and a molecular weight of 250.31 g/mol. Its IUPAC name is 1-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-2-(5-methyltetrazol-1-yl)ethanone.

Molecular Properties

Compound Name1-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-2-(5-methyltetrazol-1-yl)ethanone
PubChem CID72924284
Molecular FormulaC11H18N6O
Molecular Weight250.31 g/mol
Exact Mass250.15
IUPAC Name1-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-2-(5-methyltetrazol-1-yl)ethanone
SMILESCc1nnnn1CC(=O)N1C[C@H](C2CC2)[C@@H](N)C1
InChIInChI=1S/C11H18N6O/c1-7-13-14-15-17(7)6-11(18)16-4-9(8-2-3-8)10(12)5-16/h8-10H,2-6,12H2,1H3/t9-,10+/m1/s1
InChIKeySAYHIGCBVVHENY-ZJUUUORDSA-N
XLogP-0.82
TPSA89.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 5-0.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-cyclobutyl-N-{(3R*,4S*)-4-isopropyl-1-[3-(5-methyl-1H-tetrazol-1-yl)propyl]-3-pyrrolidinyl}acetamide
CID 72895096
2-(5-cyclopentyltetrazol-1-yl)-N-cyclopropyl-N-[(1S)-1-cyclopropylethyl]acetamide
CID 99814343
Pamta chloride
CID 129468
N-[rel-(3R,4S)-4-isopropyl-1-(3,3,3-trifluoropropyl)-3-pyrrolidinyl]-2-(5-methyl-1H-tetrazol-1-yl)acetamide hydrochloride
CID 72933712
N-[(3R*,4S*)-4-isopropyl-1-(3,3,3-trifluoropropyl)-3-pyrrolidinyl]-2-(5-methyl-1H-tetrazol-1-yl)acetamide
CID 133122963
2-(5-methyltetrazol-1-yl)-N-[(3R,4S)-4-propan-2-yl-1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]acetamide;hydrochloride
CID 154899127
N-(cyclopropylmethyl)-2-{5-[(4-methyl-1-piperidinyl)methyl]-1H-tetrazol-1-yl}acetamide
CID 26409204
N-[(1-ethyl-2-pyrrolidinyl)methyl]-2-(5-{[isopropyl(methyl)amino]methyl}-1H-tetrazol-1-yl)acetamide
CID 45210458
N,N-dimethyl-1-({5-[(4-methyl-1-piperidinyl)methyl]-1H-tetrazol-1-yl}acetyl)-3-pyrrolidinamine
CID 56716044
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide
CID 25297376
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide
CID 25297379
N-[[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-4-yl]methyl]acetamide
CID 45826423

Frequently Asked Questions

What is the IUPAC name of 1-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-2-(5-methyltetrazol-1-yl)ethanone?
The IUPAC name of 1-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-2-(5-methyltetrazol-1-yl)ethanone (CID 72924284) is 1-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-2-(5-methyltetrazol-1-yl)ethanone.
What is the SMILES notation for 1-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-2-(5-methyltetrazol-1-yl)ethanone?
The canonical SMILES for 1-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-2-(5-methyltetrazol-1-yl)ethanone is Cc1nnnn1CC(=O)N1C[C@H](C2CC2)[C@@H](N)C1.
What is the InChIKey of 1-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-2-(5-methyltetrazol-1-yl)ethanone?
The InChIKey is SAYHIGCBVVHENY-ZJUUUORDSA-N. The full InChI is InChI=1S/C11H18N6O/c1-7-13-14-15-17(7)6-11(18)16-4-9(8-2-3-8)10(12)5-16/h8-10H,2-6,12H2,1H3/t9-,10+/m1/s1.
What are the key properties of 1-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-2-(5-methyltetrazol-1-yl)ethanone?
1-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-2-(5-methyltetrazol-1-yl)ethanone has a molecular weight of 250.31 g/mol, XLogP of -0.82, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-2-(5-methyltetrazol-1-yl)ethanone is sourced from PubChem (CID 72924284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).