2-[propan-2-yl-[2-[4-(tetrazol-1-yl)phenyl]acetyl]amino]acetic acid

C14H17N5O3 — CID 119198737

IUPAC2-[propan-2-yl-[2-[4-(tetrazol-1-yl)phenyl]acetyl]amino]acetic acid
SMILESCC(C)N(CC(=O)O)C(=O)Cc1ccc(-n2cnnn2)cc1
InChIInChI=1S/C14H17N5O3/c1-10(2)18(8-14(21)22)13(20)7-11-3-5-12(6-4-11)19-9-15-16-17-19/h3-6,9-10H,7-8H2,1-2H3,(H,21,22)
InChIKeyWGRYGTMKSQPQIC-UHFFFAOYSA-N
MW303.32 g/mol
LogP0.53
Rot. Bonds6

About 2-[propan-2-yl-[2-[4-(tetrazol-1-yl)phenyl]acetyl]amino]acetic acid

2-[propan-2-yl-[2-[4-(tetrazol-1-yl)phenyl]acetyl]amino]acetic acid (PubChem CID 119198737) has the molecular formula C14H17N5O3 and a molecular weight of 303.32 g/mol. Its IUPAC name is 2-[propan-2-yl-[2-[4-(tetrazol-1-yl)phenyl]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[propan-2-yl-[2-[4-(tetrazol-1-yl)phenyl]acetyl]amino]acetic acid
PubChem CID119198737
Molecular FormulaC14H17N5O3
Molecular Weight303.32 g/mol
Exact Mass303.13
IUPAC Name2-[propan-2-yl-[2-[4-(tetrazol-1-yl)phenyl]acetyl]amino]acetic acid
SMILESCC(C)N(CC(=O)O)C(=O)Cc1ccc(-n2cnnn2)cc1
InChIInChI=1S/C14H17N5O3/c1-10(2)18(8-14(21)22)13(20)7-11-3-5-12(6-4-11)19-9-15-16-17-19/h3-6,9-10H,7-8H2,1-2H3,(H,21,22)
InChIKeyWGRYGTMKSQPQIC-UHFFFAOYSA-N
XLogP0.53
TPSA101.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-hydroxy-2-methylpropyl)-N-propan-2-yl-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 71847721
2-[[2-(4-acetylphenyl)acetyl]-propan-2-ylamino]acetic acid
CID 120580930
[4-(tetrazol-1-yl)phenyl]methanol
CID 67038028
(2R)-2-[4-(tetrazol-1-yl)phenyl]propanoic acid
CID 124637262
N-cyclopentyl-N-phenyl-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 75462753
1-[4-(2-methylpropyl)phenyl]tetrazole
CID 153454015
N-methyl-N-(pyridin-3-ylmethyl)-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 86980548
N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 55601396
N-propyl-N-pyrrolidin-3-yl-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 119532441
N-[2-(dimethylamino)ethyl]-2-[4-(tetrazol-1-yl)phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 52763841
2-[propyl-[1-[3-(tetrazol-1-yl)phenyl]ethyl]amino]acetic acid
CID 65064696
N-[(1S)-1-cyanopropyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 95637470

Frequently Asked Questions

What is the IUPAC name of 2-[propan-2-yl-[2-[4-(tetrazol-1-yl)phenyl]acetyl]amino]acetic acid?
The IUPAC name of 2-[propan-2-yl-[2-[4-(tetrazol-1-yl)phenyl]acetyl]amino]acetic acid (CID 119198737) is 2-[propan-2-yl-[2-[4-(tetrazol-1-yl)phenyl]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[propan-2-yl-[2-[4-(tetrazol-1-yl)phenyl]acetyl]amino]acetic acid?
The canonical SMILES for 2-[propan-2-yl-[2-[4-(tetrazol-1-yl)phenyl]acetyl]amino]acetic acid is CC(C)N(CC(=O)O)C(=O)Cc1ccc(-n2cnnn2)cc1.
What is the InChIKey of 2-[propan-2-yl-[2-[4-(tetrazol-1-yl)phenyl]acetyl]amino]acetic acid?
The InChIKey is WGRYGTMKSQPQIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O3/c1-10(2)18(8-14(21)22)13(20)7-11-3-5-12(6-4-11)19-9-15-16-17-19/h3-6,9-10H,7-8H2,1-2H3,(H,21,22).
What are the key properties of 2-[propan-2-yl-[2-[4-(tetrazol-1-yl)phenyl]acetyl]amino]acetic acid?
2-[propan-2-yl-[2-[4-(tetrazol-1-yl)phenyl]acetyl]amino]acetic acid has a molecular weight of 303.32 g/mol, XLogP of 0.53, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[propan-2-yl-[2-[4-(tetrazol-1-yl)phenyl]acetyl]amino]acetic acid is sourced from PubChem (CID 119198737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).