2-[[2-(2-bromoanilino)-2-oxoethyl]-(cyclopropylmethyl)amino]acetic acid

C14H17BrN2O3 — CID 43656616

IUPAC2-[[2-(2-bromoanilino)-2-oxoethyl]-(cyclopropylmethyl)amino]acetic acid
SMILESO=C(O)CN(CC(=O)Nc1ccccc1Br)CC1CC1
InChIInChI=1S/C14H17BrN2O3/c15-11-3-1-2-4-12(11)16-13(18)8-17(9-14(19)20)7-10-5-6-10/h1-4,10H,5-9H2,(H,16,18)(H,19,20)
InChIKeyLYSHMSWGOQGNGC-UHFFFAOYSA-N
MW341.21 g/mol
LogP2.18
Rot. Bonds7

About 2-[[2-(2-bromoanilino)-2-oxoethyl]-(cyclopropylmethyl)amino]acetic acid

2-[[2-(2-bromoanilino)-2-oxoethyl]-(cyclopropylmethyl)amino]acetic acid (PubChem CID 43656616) has the molecular formula C14H17BrN2O3 and a molecular weight of 341.21 g/mol. Its IUPAC name is 2-[[2-(2-bromoanilino)-2-oxoethyl]-(cyclopropylmethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(2-bromoanilino)-2-oxoethyl]-(cyclopropylmethyl)amino]acetic acid
PubChem CID43656616
Molecular FormulaC14H17BrN2O3
Molecular Weight341.21 g/mol
Exact Mass340.04
IUPAC Name2-[[2-(2-bromoanilino)-2-oxoethyl]-(cyclopropylmethyl)amino]acetic acid
SMILESO=C(O)CN(CC(=O)Nc1ccccc1Br)CC1CC1
InChIInChI=1S/C14H17BrN2O3/c15-11-3-1-2-4-12(11)16-13(18)8-17(9-14(19)20)7-10-5-6-10/h1-4,10H,5-9H2,(H,16,18)(H,19,20)
InChIKeyLYSHMSWGOQGNGC-UHFFFAOYSA-N
XLogP2.18
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.21
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[bis(oxolan-2-ylmethyl)amino]-N-(2-bromophenyl)acetamide
CID 47056113
2-[[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]-(cyclopropylmethyl)amino]acetic acid
CID 43656888
2-[(2-bromophenyl)carbamoyl-cyclopentylamino]acetic acid
CID 61190150
N-(2-bromophenyl)-2-cyclopentylacetamide
CID 24707693
2-[(2-bromophenyl)carbamoyl-cyclopropylamino]acetic acid
CID 54978712
2-[cyclopropylmethyl-[2-(4-ethylanilino)-2-oxoethyl]amino]acetic acid
CID 43656684
N-(2-bromophenyl)-2-(dimethylamino)acetamide;hydrochloride
CID 2959503
2-[[2-(2-bromoanilino)-2-oxoethyl]-cyclopropylamino]propanoic acid
CID 122083127
2-[cyclopropylmethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]acetic acid
CID 43656602
4-(2-bromoanilino)-4-oxobutanoic acid
CID 744789
N-(2-bromophenyl)-2-[(3-hydroxycyclopentyl)methylamino]acetamide
CID 106130097
N-(2-cyanophenyl)-2-[cyclopropylmethyl(ethyl)amino]acetamide
CID 63955371

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-bromoanilino)-2-oxoethyl]-(cyclopropylmethyl)amino]acetic acid?
The IUPAC name of 2-[[2-(2-bromoanilino)-2-oxoethyl]-(cyclopropylmethyl)amino]acetic acid (CID 43656616) is 2-[[2-(2-bromoanilino)-2-oxoethyl]-(cyclopropylmethyl)amino]acetic acid.
What is the SMILES notation for 2-[[2-(2-bromoanilino)-2-oxoethyl]-(cyclopropylmethyl)amino]acetic acid?
The canonical SMILES for 2-[[2-(2-bromoanilino)-2-oxoethyl]-(cyclopropylmethyl)amino]acetic acid is O=C(O)CN(CC(=O)Nc1ccccc1Br)CC1CC1.
What is the InChIKey of 2-[[2-(2-bromoanilino)-2-oxoethyl]-(cyclopropylmethyl)amino]acetic acid?
The InChIKey is LYSHMSWGOQGNGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O3/c15-11-3-1-2-4-12(11)16-13(18)8-17(9-14(19)20)7-10-5-6-10/h1-4,10H,5-9H2,(H,16,18)(H,19,20).
What are the key properties of 2-[[2-(2-bromoanilino)-2-oxoethyl]-(cyclopropylmethyl)amino]acetic acid?
2-[[2-(2-bromoanilino)-2-oxoethyl]-(cyclopropylmethyl)amino]acetic acid has a molecular weight of 341.21 g/mol, XLogP of 2.18, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-bromoanilino)-2-oxoethyl]-(cyclopropylmethyl)amino]acetic acid is sourced from PubChem (CID 43656616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).