2-[3-[[1-amino-3-(phenylmethoxymethyl)cyclobutanecarbonyl]amino]phenyl]acetic acid

C21H24N2O4 — CID 166380689

IUPAC2-[3-[[1-amino-3-(phenylmethoxymethyl)cyclobutanecarbonyl]amino]phenyl]acetic acid
SMILESNC1(C(=O)Nc2cccc(CC(=O)O)c2)CC(COCc2ccccc2)C1
InChIInChI=1S/C21H24N2O4/c22-21(11-17(12-21)14-27-13-15-5-2-1-3-6-15)20(26)23-18-8-4-7-16(9-18)10-19(24)25/h1-9,17H,10-14,22H2,(H,23,26)(H,24,25)
InChIKeyKJNMMMSWONHNNJ-UHFFFAOYSA-N
MW368.43 g/mol
LogP2.58
Rot. Bonds8

About 2-[3-[[1-amino-3-(phenylmethoxymethyl)cyclobutanecarbonyl]amino]phenyl]acetic acid

2-[3-[[1-amino-3-(phenylmethoxymethyl)cyclobutanecarbonyl]amino]phenyl]acetic acid (PubChem CID 166380689) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is 2-[3-[[1-amino-3-(phenylmethoxymethyl)cyclobutanecarbonyl]amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-[[1-amino-3-(phenylmethoxymethyl)cyclobutanecarbonyl]amino]phenyl]acetic acid
PubChem CID166380689
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name2-[3-[[1-amino-3-(phenylmethoxymethyl)cyclobutanecarbonyl]amino]phenyl]acetic acid
SMILESNC1(C(=O)Nc2cccc(CC(=O)O)c2)CC(COCc2ccccc2)C1
InChIInChI=1S/C21H24N2O4/c22-21(11-17(12-21)14-27-13-15-5-2-1-3-6-15)20(26)23-18-8-4-7-16(9-18)10-19(24)25/h1-9,17H,10-14,22H2,(H,23,26)(H,24,25)
InChIKeyKJNMMMSWONHNNJ-UHFFFAOYSA-N
XLogP2.58
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[3-[[1-amino-3-(phenylmethoxymethyl)cyclobutanecarbonyl]amino]phenyl]acetic acid with MolForge

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Related Compounds

1-amino-N-[3-(2-phenylethoxymethyl)phenyl]cyclopropane-1-carboxamide;hydrochloride
CID 119754394
1-(methylamino)-3-(phenylmethoxymethyl)cyclobutane-1-carboxylic acid
CID 58601842
2-[3-[(1-phenylcyclopentanecarbonyl)amino]phenyl]acetic acid
CID 119352047
2-[4-(cyclopropylmethoxymethyl)phenyl]acetic acid
CID 105344863
2-[3-[(1-ethylcyclopropanecarbonyl)amino]phenyl]acetic acid
CID 119351811
2-[3-[[2-(1-aminocyclobutyl)acetyl]amino]phenyl]acetic acid
CID 79854322
2-[3-(methoxycarbonylamino)phenyl]acetic acid
CID 21387794
2-[3-(cyclobutylmethylcarbamoylamino)phenyl]acetic acid
CID 65345766
2-[3-[(1-phenylsulfanylcyclopentanecarbonyl)amino]phenyl]acetic acid
CID 119351837
N-[3-(cyclopropylmethoxymethyl)phenyl]-4-methoxypiperidine-4-carboxamide
CID 119754019
2-(3-hydrazinylphenyl)acetic acid
CID 57090948
2-[3-(3-hydroxyanilino)phenyl]acetic acid
CID 70009460

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[1-amino-3-(phenylmethoxymethyl)cyclobutanecarbonyl]amino]phenyl]acetic acid?
The IUPAC name of 2-[3-[[1-amino-3-(phenylmethoxymethyl)cyclobutanecarbonyl]amino]phenyl]acetic acid (CID 166380689) is 2-[3-[[1-amino-3-(phenylmethoxymethyl)cyclobutanecarbonyl]amino]phenyl]acetic acid.
What is the SMILES notation for 2-[3-[[1-amino-3-(phenylmethoxymethyl)cyclobutanecarbonyl]amino]phenyl]acetic acid?
The canonical SMILES for 2-[3-[[1-amino-3-(phenylmethoxymethyl)cyclobutanecarbonyl]amino]phenyl]acetic acid is NC1(C(=O)Nc2cccc(CC(=O)O)c2)CC(COCc2ccccc2)C1.
What is the InChIKey of 2-[3-[[1-amino-3-(phenylmethoxymethyl)cyclobutanecarbonyl]amino]phenyl]acetic acid?
The InChIKey is KJNMMMSWONHNNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c22-21(11-17(12-21)14-27-13-15-5-2-1-3-6-15)20(26)23-18-8-4-7-16(9-18)10-19(24)25/h1-9,17H,10-14,22H2,(H,23,26)(H,24,25).
What are the key properties of 2-[3-[[1-amino-3-(phenylmethoxymethyl)cyclobutanecarbonyl]amino]phenyl]acetic acid?
2-[3-[[1-amino-3-(phenylmethoxymethyl)cyclobutanecarbonyl]amino]phenyl]acetic acid has a molecular weight of 368.43 g/mol, XLogP of 2.58, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[1-amino-3-(phenylmethoxymethyl)cyclobutanecarbonyl]amino]phenyl]acetic acid is sourced from PubChem (CID 166380689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).