2-[propyl-[1-[3-(tetrazol-1-yl)phenyl]ethyl]amino]acetic acid

C14H19N5O2 — CID 65064696

IUPAC2-[propyl-[1-[3-(tetrazol-1-yl)phenyl]ethyl]amino]acetic acid
SMILESCCCN(CC(=O)O)C(C)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C14H19N5O2/c1-3-7-18(9-14(20)21)11(2)12-5-4-6-13(8-12)19-10-15-16-17-19/h4-6,8,10-11H,3,7,9H2,1-2H3,(H,20,21)
InChIKeyVVRGRHTYCYWMQD-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.52
Rot. Bonds7

About 2-[propyl-[1-[3-(tetrazol-1-yl)phenyl]ethyl]amino]acetic acid

2-[propyl-[1-[3-(tetrazol-1-yl)phenyl]ethyl]amino]acetic acid (PubChem CID 65064696) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is 2-[propyl-[1-[3-(tetrazol-1-yl)phenyl]ethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[propyl-[1-[3-(tetrazol-1-yl)phenyl]ethyl]amino]acetic acid
PubChem CID65064696
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name2-[propyl-[1-[3-(tetrazol-1-yl)phenyl]ethyl]amino]acetic acid
SMILESCCCN(CC(=O)O)C(C)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C14H19N5O2/c1-3-7-18(9-14(20)21)11(2)12-5-4-6-13(8-12)19-10-15-16-17-19/h4-6,8,10-11H,3,7,9H2,1-2H3,(H,20,21)
InChIKeyVVRGRHTYCYWMQD-UHFFFAOYSA-N
XLogP1.52
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N'-ethyl-N'-[1-[3-(tetrazol-1-yl)phenyl]ethyl]ethane-1,2-diamine
CID 66657935
2-[propyl(1-pyridin-3-ylethyl)amino]acetic acid
CID 65064646
4-[1-[3-(tetrazol-1-yl)phenyl]ethylamino]butanamide
CID 60865372
N-butyl-N-ethyl-3-(tetrazol-1-yl)benzamide
CID 78785165
2-hydroxy-3-[1-[3-(tetrazol-1-yl)phenyl]ethylamino]propanamide
CID 106171764
N-[(2R)-2-phenylpropyl]-3-(tetrazol-1-yl)benzamide
CID 93240510
(2S)-2-[3-(tetrazol-1-yl)phenoxy]propanoic acid
CID 7026167
N-butan-2-yl-3-(tetrazol-1-yl)benzamide
CID 42651210
2-[pentyl(1-phenylethyl)amino]acetic acid
CID 70551743
2-[propan-2-yl-[2-[4-(tetrazol-1-yl)phenyl]acetyl]amino]acetic acid
CID 119198737
1-[1-[3-(tetrazol-1-yl)phenyl]ethyl]pyrrolidine-3-carboxylic acid
CID 65066522
N-[(2R)-heptan-2-yl]-3-(tetrazol-1-yl)benzamide
CID 28935486

Frequently Asked Questions

What is the IUPAC name of 2-[propyl-[1-[3-(tetrazol-1-yl)phenyl]ethyl]amino]acetic acid?
The IUPAC name of 2-[propyl-[1-[3-(tetrazol-1-yl)phenyl]ethyl]amino]acetic acid (CID 65064696) is 2-[propyl-[1-[3-(tetrazol-1-yl)phenyl]ethyl]amino]acetic acid.
What is the SMILES notation for 2-[propyl-[1-[3-(tetrazol-1-yl)phenyl]ethyl]amino]acetic acid?
The canonical SMILES for 2-[propyl-[1-[3-(tetrazol-1-yl)phenyl]ethyl]amino]acetic acid is CCCN(CC(=O)O)C(C)c1cccc(-n2cnnn2)c1.
What is the InChIKey of 2-[propyl-[1-[3-(tetrazol-1-yl)phenyl]ethyl]amino]acetic acid?
The InChIKey is VVRGRHTYCYWMQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-3-7-18(9-14(20)21)11(2)12-5-4-6-13(8-12)19-10-15-16-17-19/h4-6,8,10-11H,3,7,9H2,1-2H3,(H,20,21).
What are the key properties of 2-[propyl-[1-[3-(tetrazol-1-yl)phenyl]ethyl]amino]acetic acid?
2-[propyl-[1-[3-(tetrazol-1-yl)phenyl]ethyl]amino]acetic acid has a molecular weight of 289.34 g/mol, XLogP of 1.52, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[propyl-[1-[3-(tetrazol-1-yl)phenyl]ethyl]amino]acetic acid is sourced from PubChem (CID 65064696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).