ethyl (2S)-3-phenyl-2-[[2-(tetrazol-1-yl)acetyl]amino]propanoate

C14H17N5O3 — CID 94660700

IUPACethyl (2S)-3-phenyl-2-[[2-(tetrazol-1-yl)acetyl]amino]propanoate
SMILESCCOC(=O)[C@H](Cc1ccccc1)NC(=O)Cn1cnnn1
InChIInChI=1S/C14H17N5O3/c1-2-22-14(21)12(8-11-6-4-3-5-7-11)16-13(20)9-19-10-15-17-18-19/h3-7,10,12H,2,8-9H2,1H3,(H,16,20)/t12-/m0/s1
InChIKeyWDXLRHFQFANEAU-LBPRGKRZSA-N
MW303.32 g/mol
LogP-0.04
Rot. Bonds7

About ethyl (2S)-3-phenyl-2-[[2-(tetrazol-1-yl)acetyl]amino]propanoate

ethyl (2S)-3-phenyl-2-[[2-(tetrazol-1-yl)acetyl]amino]propanoate (PubChem CID 94660700) has the molecular formula C14H17N5O3 and a molecular weight of 303.32 g/mol. Its IUPAC name is ethyl (2S)-3-phenyl-2-[[2-(tetrazol-1-yl)acetyl]amino]propanoate.

Molecular Properties

Compound Nameethyl (2S)-3-phenyl-2-[[2-(tetrazol-1-yl)acetyl]amino]propanoate
PubChem CID94660700
Molecular FormulaC14H17N5O3
Molecular Weight303.32 g/mol
Exact Mass303.13
IUPAC Nameethyl (2S)-3-phenyl-2-[[2-(tetrazol-1-yl)acetyl]amino]propanoate
SMILESCCOC(=O)[C@H](Cc1ccccc1)NC(=O)Cn1cnnn1
InChIInChI=1S/C14H17N5O3/c1-2-22-14(21)12(8-11-6-4-3-5-7-11)16-13(20)9-19-10-15-17-18-19/h3-7,10,12H,2,8-9H2,1H3,(H,16,20)/t12-/m0/s1
InChIKeyWDXLRHFQFANEAU-LBPRGKRZSA-N
XLogP-0.04
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2R)-N-cyclopropyl-3-phenyl-2-[[2-(tetrazol-1-yl)acetyl]amino]propanamide
CID 95275372
N-[(1S)-1,2-diphenylethyl]-2-(tetrazol-1-yl)acetamide
CID 9117476
benzyl N-[2-oxo-2-[[3-oxo-1-phenyl-4-(tetrazol-1-yl)butan-2-yl]amino]ethyl]carbamate
CID 22473141
ethyl (2S)-3-phenyl-2-[(2-sulfanylacetyl)amino]propanoate
CID 25257147
ethyl (2S)-2-[[2-[4-(3,4-dimethoxyphenyl)triazol-1-yl]acetyl]amino]-3-phenylpropanoate
CID 23760440
ethyl 3-(4-hydroxyphenyl)-2-[(2-phenylacetyl)amino]propanoate
CID 11131238
ethyl (2R)-2-[cyclopropyl-[2-(tetrazol-1-yl)acetyl]amino]-3-phenylpropanoate
CID 95156169
(1-ethoxy-1-oxo-3-phenylpropan-2-yl)carbamodithioic acid
CID 11780574
ethyl 3-phenyl-2-[(2-thiophen-3-ylacetyl)amino]propanoate
CID 110183706
ethyl (2S)-3-phenyl-2-[(3,4,5-trihydroxybenzoyl)amino]propanoate
CID 129232233
ethyl (2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-phenylpropanoate
CID 15546721
ethyl (2S)-2-formamido-3-phenylpropanoate
CID 10198363

Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-3-phenyl-2-[[2-(tetrazol-1-yl)acetyl]amino]propanoate?
The IUPAC name of ethyl (2S)-3-phenyl-2-[[2-(tetrazol-1-yl)acetyl]amino]propanoate (CID 94660700) is ethyl (2S)-3-phenyl-2-[[2-(tetrazol-1-yl)acetyl]amino]propanoate.
What is the SMILES notation for ethyl (2S)-3-phenyl-2-[[2-(tetrazol-1-yl)acetyl]amino]propanoate?
The canonical SMILES for ethyl (2S)-3-phenyl-2-[[2-(tetrazol-1-yl)acetyl]amino]propanoate is CCOC(=O)[C@H](Cc1ccccc1)NC(=O)Cn1cnnn1.
What is the InChIKey of ethyl (2S)-3-phenyl-2-[[2-(tetrazol-1-yl)acetyl]amino]propanoate?
The InChIKey is WDXLRHFQFANEAU-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H17N5O3/c1-2-22-14(21)12(8-11-6-4-3-5-7-11)16-13(20)9-19-10-15-17-18-19/h3-7,10,12H,2,8-9H2,1H3,(H,16,20)/t12-/m0/s1.
What are the key properties of ethyl (2S)-3-phenyl-2-[[2-(tetrazol-1-yl)acetyl]amino]propanoate?
ethyl (2S)-3-phenyl-2-[[2-(tetrazol-1-yl)acetyl]amino]propanoate has a molecular weight of 303.32 g/mol, XLogP of -0.04, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-3-phenyl-2-[[2-(tetrazol-1-yl)acetyl]amino]propanoate is sourced from PubChem (CID 94660700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).