2-[[2-(1-aminocyclopentyl)acetyl]amino]-3,5-dibromobenzoic acid

C14H16Br2N2O3 — CID 64676657

IUPAC2-[[2-(1-aminocyclopentyl)acetyl]amino]-3,5-dibromobenzoic acid
SMILESNC1(CC(=O)Nc2c(Br)cc(Br)cc2C(=O)O)CCCC1
InChIInChI=1S/C14H16Br2N2O3/c15-8-5-9(13(20)21)12(10(16)6-8)18-11(19)7-14(17)3-1-2-4-14/h5-6H,1-4,7,17H2,(H,18,19)(H,20,21)
InChIKeyMNDQLDGFVAQERZ-UHFFFAOYSA-N
MW420.10 g/mol
LogP3.51
Rot. Bonds4

About 2-[[2-(1-aminocyclopentyl)acetyl]amino]-3,5-dibromobenzoic acid

2-[[2-(1-aminocyclopentyl)acetyl]amino]-3,5-dibromobenzoic acid (PubChem CID 64676657) has the molecular formula C14H16Br2N2O3 and a molecular weight of 420.10 g/mol. Its IUPAC name is 2-[[2-(1-aminocyclopentyl)acetyl]amino]-3,5-dibromobenzoic acid.

Molecular Properties

Compound Name2-[[2-(1-aminocyclopentyl)acetyl]amino]-3,5-dibromobenzoic acid
PubChem CID64676657
Molecular FormulaC14H16Br2N2O3
Molecular Weight420.10 g/mol
Exact Mass417.95
IUPAC Name2-[[2-(1-aminocyclopentyl)acetyl]amino]-3,5-dibromobenzoic acid
SMILESNC1(CC(=O)Nc2c(Br)cc(Br)cc2C(=O)O)CCCC1
InChIInChI=1S/C14H16Br2N2O3/c15-8-5-9(13(20)21)12(10(16)6-8)18-11(19)7-14(17)3-1-2-4-14/h5-6H,1-4,7,17H2,(H,18,19)(H,20,21)
InChIKeyMNDQLDGFVAQERZ-UHFFFAOYSA-N
XLogP3.51
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.10
LogP ≤ 53.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-[1-(aminomethyl)cyclobutyl]acetyl]amino]-3,5-dibromobenzoic acid
CID 81172576
2-(1-aminocyclobutyl)-N-(4-bromo-2,6-difluorophenyl)acetamide
CID 79854666
3,5-dibromo-2-[4-(methylamino)butanoylamino]benzoic acid
CID 63112292
2-(1-aminocyclohexyl)-N-(5-bromo-3-pyridinyl)acetamide
CID 114222291
5-[[2-(1-aminocyclobutyl)acetyl]amino]benzene-1,3-dicarboxylic acid
CID 79844254
2-(1-aminocyclopentyl)-N-(5-bromo-2-pyridinyl)acetamide
CID 64684559
4-[[2-(1-aminocyclopentyl)acetyl]amino]-2-methylbenzoic acid
CID 64676821
2-[(4-amino-3-methylbutanoyl)amino]-3,5-dibromobenzoic acid
CID 81080755
3,5-dibromo-2-(3-methylsulfanylpropanoylamino)benzoic acid
CID 55176918
2-(1-aminocyclopentyl)-N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 64686030
2-[[2-(1-aminocyclopentyl)acetyl]amino]-5-fluorobenzoic acid
CID 64677158
2-(1-aminocyclohexyl)-N-(3-bromo-5-methoxyphenyl)acetamide
CID 82867398

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(1-aminocyclopentyl)acetyl]amino]-3,5-dibromobenzoic acid?
The IUPAC name of 2-[[2-(1-aminocyclopentyl)acetyl]amino]-3,5-dibromobenzoic acid (CID 64676657) is 2-[[2-(1-aminocyclopentyl)acetyl]amino]-3,5-dibromobenzoic acid.
What is the SMILES notation for 2-[[2-(1-aminocyclopentyl)acetyl]amino]-3,5-dibromobenzoic acid?
The canonical SMILES for 2-[[2-(1-aminocyclopentyl)acetyl]amino]-3,5-dibromobenzoic acid is NC1(CC(=O)Nc2c(Br)cc(Br)cc2C(=O)O)CCCC1.
What is the InChIKey of 2-[[2-(1-aminocyclopentyl)acetyl]amino]-3,5-dibromobenzoic acid?
The InChIKey is MNDQLDGFVAQERZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Br2N2O3/c15-8-5-9(13(20)21)12(10(16)6-8)18-11(19)7-14(17)3-1-2-4-14/h5-6H,1-4,7,17H2,(H,18,19)(H,20,21).
What are the key properties of 2-[[2-(1-aminocyclopentyl)acetyl]amino]-3,5-dibromobenzoic acid?
2-[[2-(1-aminocyclopentyl)acetyl]amino]-3,5-dibromobenzoic acid has a molecular weight of 420.10 g/mol, XLogP of 3.51, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(1-aminocyclopentyl)acetyl]amino]-3,5-dibromobenzoic acid is sourced from PubChem (CID 64676657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).