ethyl (2R)-2-[cyclopropyl-[2-(tetrazol-1-yl)acetyl]amino]-3-phenylpropanoate

C17H21N5O3 — CID 95156169

IUPACethyl (2R)-2-[cyclopropyl-[2-(tetrazol-1-yl)acetyl]amino]-3-phenylpropanoate
SMILESCCOC(=O)[C@@H](Cc1ccccc1)N(C(=O)Cn1cnnn1)C1CC1
InChIInChI=1S/C17H21N5O3/c1-2-25-17(24)15(10-13-6-4-3-5-7-13)22(14-8-9-14)16(23)11-21-12-18-19-20-21/h3-7,12,14-15H,2,8-11H2,1H3/t15-/m1/s1
InChIKeyMDFZVWAZBWMPND-OAHLLOKOSA-N
MW343.39 g/mol
LogP0.84
Rot. Bonds8

About ethyl (2R)-2-[cyclopropyl-[2-(tetrazol-1-yl)acetyl]amino]-3-phenylpropanoate

ethyl (2R)-2-[cyclopropyl-[2-(tetrazol-1-yl)acetyl]amino]-3-phenylpropanoate (PubChem CID 95156169) has the molecular formula C17H21N5O3 and a molecular weight of 343.39 g/mol. Its IUPAC name is ethyl (2R)-2-[cyclopropyl-[2-(tetrazol-1-yl)acetyl]amino]-3-phenylpropanoate.

Molecular Properties

Compound Nameethyl (2R)-2-[cyclopropyl-[2-(tetrazol-1-yl)acetyl]amino]-3-phenylpropanoate
PubChem CID95156169
Molecular FormulaC17H21N5O3
Molecular Weight343.39 g/mol
Exact Mass343.16
IUPAC Nameethyl (2R)-2-[cyclopropyl-[2-(tetrazol-1-yl)acetyl]amino]-3-phenylpropanoate
SMILESCCOC(=O)[C@@H](Cc1ccccc1)N(C(=O)Cn1cnnn1)C1CC1
InChIInChI=1S/C17H21N5O3/c1-2-25-17(24)15(10-13-6-4-3-5-7-13)22(14-8-9-14)16(23)11-21-12-18-19-20-21/h3-7,12,14-15H,2,8-11H2,1H3/t15-/m1/s1
InChIKeyMDFZVWAZBWMPND-OAHLLOKOSA-N
XLogP0.84
TPSA90.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl (2S)-3-phenyl-2-[[2-(tetrazol-1-yl)acetyl]amino]propanoate
CID 94660700
N-methyl-N-phenyl-2-(tetrazol-1-yl)acetamide
CID 110856918
ethyl 2-(tetrazol-1-yl)acetate
CID 14415264
(2R)-N-cyclopropyl-3-phenyl-2-[[2-(tetrazol-1-yl)acetyl]amino]propanamide
CID 95275372
N-cyclopropyl-N-[(2,6-dichlorophenyl)methyl]-2-(tetrazol-1-yl)acetamide
CID 146124191
2-[2-phenylethyl-[2-(tetrazol-1-yl)acetyl]amino]acetic acid
CID 119347669
N-[(1S)-1,2-diphenylethyl]-2-(tetrazol-1-yl)acetamide
CID 9117476
4-phenyl-1-(tetrazol-1-yl)butan-2-one
CID 25141638
(2S)-2-[cyclopropyl(methyl)amino]-3-phenylpropanoic acid
CID 175818563
N-[(1R)-1-cyclopropylethyl]-N-(4-methoxyphenyl)-2-(tetrazol-1-yl)acetamide
CID 125145764
ethyl 2-[[(2S)-2-amino-3-phenylpropanoyl]-cyclopropylamino]acetate
CID 61164393
(2S)-2-benzyl-3-ethoxy-3-oxopropanoic acid
CID 879209

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-[cyclopropyl-[2-(tetrazol-1-yl)acetyl]amino]-3-phenylpropanoate?
The IUPAC name of ethyl (2R)-2-[cyclopropyl-[2-(tetrazol-1-yl)acetyl]amino]-3-phenylpropanoate (CID 95156169) is ethyl (2R)-2-[cyclopropyl-[2-(tetrazol-1-yl)acetyl]amino]-3-phenylpropanoate.
What is the SMILES notation for ethyl (2R)-2-[cyclopropyl-[2-(tetrazol-1-yl)acetyl]amino]-3-phenylpropanoate?
The canonical SMILES for ethyl (2R)-2-[cyclopropyl-[2-(tetrazol-1-yl)acetyl]amino]-3-phenylpropanoate is CCOC(=O)[C@@H](Cc1ccccc1)N(C(=O)Cn1cnnn1)C1CC1.
What is the InChIKey of ethyl (2R)-2-[cyclopropyl-[2-(tetrazol-1-yl)acetyl]amino]-3-phenylpropanoate?
The InChIKey is MDFZVWAZBWMPND-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H21N5O3/c1-2-25-17(24)15(10-13-6-4-3-5-7-13)22(14-8-9-14)16(23)11-21-12-18-19-20-21/h3-7,12,14-15H,2,8-11H2,1H3/t15-/m1/s1.
What are the key properties of ethyl (2R)-2-[cyclopropyl-[2-(tetrazol-1-yl)acetyl]amino]-3-phenylpropanoate?
ethyl (2R)-2-[cyclopropyl-[2-(tetrazol-1-yl)acetyl]amino]-3-phenylpropanoate has a molecular weight of 343.39 g/mol, XLogP of 0.84, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-[cyclopropyl-[2-(tetrazol-1-yl)acetyl]amino]-3-phenylpropanoate is sourced from PubChem (CID 95156169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).