2-phenyl-2-[(1-propylpyrrol-2-yl)methylamino]acetic acid

C16H20N2O2 — CID 66442837

IUPAC2-phenyl-2-[(1-propylpyrrol-2-yl)methylamino]acetic acid
SMILESCCCn1cccc1CNC(C(=O)O)c1ccccc1
InChIInChI=1S/C16H20N2O2/c1-2-10-18-11-6-9-14(18)12-17-15(16(19)20)13-7-4-3-5-8-13/h3-9,11,15,17H,2,10,12H2,1H3,(H,19,20)
InChIKeyOIDHIVNCRSFNOT-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.81
Rot. Bonds7

About 2-phenyl-2-[(1-propylpyrrol-2-yl)methylamino]acetic acid

2-phenyl-2-[(1-propylpyrrol-2-yl)methylamino]acetic acid (PubChem CID 66442837) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-phenyl-2-[(1-propylpyrrol-2-yl)methylamino]acetic acid.

Molecular Properties

Compound Name2-phenyl-2-[(1-propylpyrrol-2-yl)methylamino]acetic acid
PubChem CID66442837
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name2-phenyl-2-[(1-propylpyrrol-2-yl)methylamino]acetic acid
SMILESCCCn1cccc1CNC(C(=O)O)c1ccccc1
InChIInChI=1S/C16H20N2O2/c1-2-10-18-11-6-9-14(18)12-17-15(16(19)20)13-7-4-3-5-8-13/h3-9,11,15,17H,2,10,12H2,1H3,(H,19,20)
InChIKeyOIDHIVNCRSFNOT-UHFFFAOYSA-N
XLogP2.81
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-phenyl-N-[(1-propylpyrrol-2-yl)methyl]ethanamine
CID 81351106
3-methyl-N-[(1-propylpyrrol-2-yl)methyl]butan-2-amine
CID 66411114
2-[(1-methylpyrrol-3-yl)methylamino]-2-phenylacetic acid
CID 66398999
2-[(2-ethylphenyl)methylamino]-2-phenylacetic acid
CID 62392789
2-[(2-ethylpyrazol-3-yl)methylamino]-2-phenylacetic acid
CID 114555699
4-methyl-3-[(1-propylpyrrol-2-yl)methylamino]pentan-1-ol
CID 106348680
2-[(4-methylphenyl)methylamino]-2-phenylacetic acid
CID 55036353
N-[(1-propylpyrrol-2-yl)methyl]-1-pyridin-3-ylethanamine
CID 66411298
2-phenyl-2-[(1-propyltetrazol-5-yl)methylamino]acetic acid
CID 62108843
(1S)-1-(3-bromophenyl)-N-[(1-propylpyrrol-2-yl)methyl]ethanamine
CID 81382188
(2R)-2-(pentylamino)-2-phenylacetic acid
CID 94357515
N-[(1-nonylpyrrol-2-yl)methyl]propan-2-amine
CID 66401799

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-[(1-propylpyrrol-2-yl)methylamino]acetic acid?
The IUPAC name of 2-phenyl-2-[(1-propylpyrrol-2-yl)methylamino]acetic acid (CID 66442837) is 2-phenyl-2-[(1-propylpyrrol-2-yl)methylamino]acetic acid.
What is the SMILES notation for 2-phenyl-2-[(1-propylpyrrol-2-yl)methylamino]acetic acid?
The canonical SMILES for 2-phenyl-2-[(1-propylpyrrol-2-yl)methylamino]acetic acid is CCCn1cccc1CNC(C(=O)O)c1ccccc1.
What is the InChIKey of 2-phenyl-2-[(1-propylpyrrol-2-yl)methylamino]acetic acid?
The InChIKey is OIDHIVNCRSFNOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-2-10-18-11-6-9-14(18)12-17-15(16(19)20)13-7-4-3-5-8-13/h3-9,11,15,17H,2,10,12H2,1H3,(H,19,20).
What are the key properties of 2-phenyl-2-[(1-propylpyrrol-2-yl)methylamino]acetic acid?
2-phenyl-2-[(1-propylpyrrol-2-yl)methylamino]acetic acid has a molecular weight of 272.35 g/mol, XLogP of 2.81, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-[(1-propylpyrrol-2-yl)methylamino]acetic acid is sourced from PubChem (CID 66442837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).