(2R)-N-cyclopropyl-3-phenyl-2-[[2-(tetrazol-1-yl)acetyl]amino]propanamide

C15H18N6O2 — CID 95275372

IUPAC(2R)-N-cyclopropyl-3-phenyl-2-[[2-(tetrazol-1-yl)acetyl]amino]propanamide
SMILESO=C(Cn1cnnn1)N[C@H](Cc1ccccc1)C(=O)NC1CC1
InChIInChI=1S/C15H18N6O2/c22-14(9-21-10-16-19-20-21)18-13(15(23)17-12-6-7-12)8-11-4-2-1-3-5-11/h1-5,10,12-13H,6-9H2,(H,17,23)(H,18,22)/t13-/m1/s1
InChIKeyKSWZFYXWTKTHNK-CYBMUJFWSA-N
MW314.35 g/mol
LogP-0.32
Rot. Bonds7

About (2R)-N-cyclopropyl-3-phenyl-2-[[2-(tetrazol-1-yl)acetyl]amino]propanamide

(2R)-N-cyclopropyl-3-phenyl-2-[[2-(tetrazol-1-yl)acetyl]amino]propanamide (PubChem CID 95275372) has the molecular formula C15H18N6O2 and a molecular weight of 314.35 g/mol. Its IUPAC name is (2R)-N-cyclopropyl-3-phenyl-2-[[2-(tetrazol-1-yl)acetyl]amino]propanamide.

Molecular Properties

Compound Name(2R)-N-cyclopropyl-3-phenyl-2-[[2-(tetrazol-1-yl)acetyl]amino]propanamide
PubChem CID95275372
Molecular FormulaC15H18N6O2
Molecular Weight314.35 g/mol
Exact Mass314.15
IUPAC Name(2R)-N-cyclopropyl-3-phenyl-2-[[2-(tetrazol-1-yl)acetyl]amino]propanamide
SMILESO=C(Cn1cnnn1)N[C@H](Cc1ccccc1)C(=O)NC1CC1
InChIInChI=1S/C15H18N6O2/c22-14(9-21-10-16-19-20-21)18-13(15(23)17-12-6-7-12)8-11-4-2-1-3-5-11/h1-5,10,12-13H,6-9H2,(H,17,23)(H,18,22)/t13-/m1/s1
InChIKeyKSWZFYXWTKTHNK-CYBMUJFWSA-N
XLogP-0.32
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl (2S)-3-phenyl-2-[[2-(tetrazol-1-yl)acetyl]amino]propanoate
CID 94660700
N-[(1S)-1,2-diphenylethyl]-2-(tetrazol-1-yl)acetamide
CID 9117476
2-[(3-chlorophenyl)carbamoylamino]-N-cyclopropyl-3-phenylpropanamide
CID 47093307
benzyl N-[2-oxo-2-[[3-oxo-1-phenyl-4-(tetrazol-1-yl)butan-2-yl]amino]ethyl]carbamate
CID 22473141
N-[4-(methylamino)cyclohexyl]-2-(tetrazol-1-yl)acetamide
CID 79111193
N-[2-(4-chlorophenyl)-1-phenylethyl]-2-(tetrazol-1-yl)acetamide
CID 60548183
N-cyclopropyl-2-[[2-(1-hydroxycyclohexyl)acetyl]amino]-3-phenylpropanamide
CID 111332048
(2S)-N-cyclopropyl-2-(diethylsulfamoylamino)-3-phenylpropanamide
CID 94817333
(2S)-N-cyclopropyl-2-[[(2R)-2-methylsulfanylpropanoyl]amino]-3-phenylpropanamide
CID 95291680
(2S)-N-cyclopropyl-2-(naphthalen-1-ylcarbamoylamino)-3-phenylpropanamide
CID 52506751
(2R)-N-cyclopropyl-3-phenyl-2-(pyridin-4-ylcarbamoylamino)propanamide
CID 94798428
N-cyclopropyl-2-(ethylsulfonylamino)-3-phenylpropanamide
CID 51107382

Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclopropyl-3-phenyl-2-[[2-(tetrazol-1-yl)acetyl]amino]propanamide?
The IUPAC name of (2R)-N-cyclopropyl-3-phenyl-2-[[2-(tetrazol-1-yl)acetyl]amino]propanamide (CID 95275372) is (2R)-N-cyclopropyl-3-phenyl-2-[[2-(tetrazol-1-yl)acetyl]amino]propanamide.
What is the SMILES notation for (2R)-N-cyclopropyl-3-phenyl-2-[[2-(tetrazol-1-yl)acetyl]amino]propanamide?
The canonical SMILES for (2R)-N-cyclopropyl-3-phenyl-2-[[2-(tetrazol-1-yl)acetyl]amino]propanamide is O=C(Cn1cnnn1)N[C@H](Cc1ccccc1)C(=O)NC1CC1.
What is the InChIKey of (2R)-N-cyclopropyl-3-phenyl-2-[[2-(tetrazol-1-yl)acetyl]amino]propanamide?
The InChIKey is KSWZFYXWTKTHNK-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H18N6O2/c22-14(9-21-10-16-19-20-21)18-13(15(23)17-12-6-7-12)8-11-4-2-1-3-5-11/h1-5,10,12-13H,6-9H2,(H,17,23)(H,18,22)/t13-/m1/s1.
What are the key properties of (2R)-N-cyclopropyl-3-phenyl-2-[[2-(tetrazol-1-yl)acetyl]amino]propanamide?
(2R)-N-cyclopropyl-3-phenyl-2-[[2-(tetrazol-1-yl)acetyl]amino]propanamide has a molecular weight of 314.35 g/mol, XLogP of -0.32, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-cyclopropyl-3-phenyl-2-[[2-(tetrazol-1-yl)acetyl]amino]propanamide is sourced from PubChem (CID 95275372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).