3-[[[2-(1-aminocyclopentyl)acetyl]amino]methyl]benzoic acid

C15H20N2O3 — CID 64678387

IUPAC3-[[[2-(1-aminocyclopentyl)acetyl]amino]methyl]benzoic acid
SMILESNC1(CC(=O)NCc2cccc(C(=O)O)c2)CCCC1
InChIInChI=1S/C15H20N2O3/c16-15(6-1-2-7-15)9-13(18)17-10-11-4-3-5-12(8-11)14(19)20/h3-5,8H,1-2,6-7,9-10,16H2,(H,17,18)(H,19,20)
InChIKeyUNCXMOBNLULZCW-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.66
Rot. Bonds5

About 3-[[[2-(1-aminocyclopentyl)acetyl]amino]methyl]benzoic acid

3-[[[2-(1-aminocyclopentyl)acetyl]amino]methyl]benzoic acid (PubChem CID 64678387) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 3-[[[2-(1-aminocyclopentyl)acetyl]amino]methyl]benzoic acid.

Molecular Properties

Compound Name3-[[[2-(1-aminocyclopentyl)acetyl]amino]methyl]benzoic acid
PubChem CID64678387
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name3-[[[2-(1-aminocyclopentyl)acetyl]amino]methyl]benzoic acid
SMILESNC1(CC(=O)NCc2cccc(C(=O)O)c2)CCCC1
InChIInChI=1S/C15H20N2O3/c16-15(6-1-2-7-15)9-13(18)17-10-11-4-3-5-12(8-11)14(19)20/h3-5,8H,1-2,6-7,9-10,16H2,(H,17,18)(H,19,20)
InChIKeyUNCXMOBNLULZCW-UHFFFAOYSA-N
XLogP1.66
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-aminocyclopentyl)-N-[(3-chlorophenyl)methyl]acetamide
CID 64684380
2-(1-aminocyclohexyl)-N-[(3-fluorophenyl)methyl]acetamide
CID 64683966
2-(1-aminocyclobutyl)-N-[2-(benzylamino)-2-oxoethyl]acetamide
CID 79854273
3-[(propanoylamino)methyl]benzoic acid
CID 20745849
3-[[[1-(aminomethyl)cyclobutanecarbonyl]amino]methyl]benzoic acid
CID 115448296
4-[2-[[2-(1-aminocyclopentyl)acetyl]amino]ethyl]benzoic acid
CID 64677981
3-[(butanoylamino)methyl]benzoic acid
CID 60895851
3-[(3,3,3-trifluoropropanoylamino)methyl]benzoic acid
CID 60894410
3-[[[2-(methylamino)acetyl]amino]methyl]benzoic acid
CID 61162466
3-[[[2-(2-hydroxyphenyl)acetyl]amino]methyl]benzoic acid
CID 80722615
3-[(but-3-enoylamino)methyl]benzoic acid
CID 62683980
3-[[[2-(1-hydroxycyclopentyl)-2-methylpropyl]amino]methyl]benzoic acid
CID 122035198

Frequently Asked Questions

What is the IUPAC name of 3-[[[2-(1-aminocyclopentyl)acetyl]amino]methyl]benzoic acid?
The IUPAC name of 3-[[[2-(1-aminocyclopentyl)acetyl]amino]methyl]benzoic acid (CID 64678387) is 3-[[[2-(1-aminocyclopentyl)acetyl]amino]methyl]benzoic acid.
What is the SMILES notation for 3-[[[2-(1-aminocyclopentyl)acetyl]amino]methyl]benzoic acid?
The canonical SMILES for 3-[[[2-(1-aminocyclopentyl)acetyl]amino]methyl]benzoic acid is NC1(CC(=O)NCc2cccc(C(=O)O)c2)CCCC1.
What is the InChIKey of 3-[[[2-(1-aminocyclopentyl)acetyl]amino]methyl]benzoic acid?
The InChIKey is UNCXMOBNLULZCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c16-15(6-1-2-7-15)9-13(18)17-10-11-4-3-5-12(8-11)14(19)20/h3-5,8H,1-2,6-7,9-10,16H2,(H,17,18)(H,19,20).
What are the key properties of 3-[[[2-(1-aminocyclopentyl)acetyl]amino]methyl]benzoic acid?
3-[[[2-(1-aminocyclopentyl)acetyl]amino]methyl]benzoic acid has a molecular weight of 276.34 g/mol, XLogP of 1.66, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[2-(1-aminocyclopentyl)acetyl]amino]methyl]benzoic acid is sourced from PubChem (CID 64678387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).