2-(2-bromoprop-2-enylamino)-2-cyclopropylacetic acid

C8H12BrNO2 — CID 62695608

IUPAC2-(2-bromoprop-2-enylamino)-2-cyclopropylacetic acid
SMILESC=C(Br)CNC(C(=O)O)C1CC1
InChIInChI=1S/C8H12BrNO2/c1-5(9)4-10-7(8(11)12)6-2-3-6/h6-7,10H,1-4H2,(H,11,12)
InChIKeyALEKFPMMAPAMBK-UHFFFAOYSA-N
MW234.09 g/mol
LogP1.35
Rot. Bonds5

About 2-(2-bromoprop-2-enylamino)-2-cyclopropylacetic acid

2-(2-bromoprop-2-enylamino)-2-cyclopropylacetic acid (PubChem CID 62695608) has the molecular formula C8H12BrNO2 and a molecular weight of 234.09 g/mol. Its IUPAC name is 2-(2-bromoprop-2-enylamino)-2-cyclopropylacetic acid.

Molecular Properties

Compound Name2-(2-bromoprop-2-enylamino)-2-cyclopropylacetic acid
PubChem CID62695608
Molecular FormulaC8H12BrNO2
Molecular Weight234.09 g/mol
Exact Mass233.01
IUPAC Name2-(2-bromoprop-2-enylamino)-2-cyclopropylacetic acid
SMILESC=C(Br)CNC(C(=O)O)C1CC1
InChIInChI=1S/C8H12BrNO2/c1-5(9)4-10-7(8(11)12)6-2-3-6/h6-7,10H,1-4H2,(H,11,12)
InChIKeyALEKFPMMAPAMBK-UHFFFAOYSA-N
XLogP1.35
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.09
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopropyl-2-(3-methylbut-3-enylamino)acetic acid
CID 114473160
2-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]amino]-2-cyclopropylacetic acid
CID 62697513
2-[[2-(azocan-1-yl)-2-oxoethyl]amino]-2-cyclopropylacetic acid
CID 62697174
2-[[2-(2-acetamidoethylamino)-2-oxoethyl]amino]-2-cyclopropylacetic acid
CID 62696946
2-[[2-[bis(2-methylpropyl)amino]-2-oxoethyl]amino]-2-cyclopropylacetic acid
CID 62697339
2-cyclopropyl-2-[[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]amino]acetic acid
CID 55107911
2-cyclopropyl-2-[[2-(ethoxycarbonylamino)-2-oxoethyl]amino]acetic acid
CID 62696389
2-cyclopropyl-2-(2,3-dimethylbutylamino)acetic acid
CID 103254407
2-cyclopropyl-2-(4-hydroxybutylamino)acetic acid
CID 62697319
2-cyclopentyl-2-(prop-2-enylamino)acetic acid
CID 62352508
2-(butylamino)-2-cyclopropylacetic acid
CID 62696417
2-[[2-[1-(4-bromophenyl)ethylamino]-2-oxoethyl]amino]-2-cyclopropylacetic acid
CID 62695427

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromoprop-2-enylamino)-2-cyclopropylacetic acid?
The IUPAC name of 2-(2-bromoprop-2-enylamino)-2-cyclopropylacetic acid (CID 62695608) is 2-(2-bromoprop-2-enylamino)-2-cyclopropylacetic acid.
What is the SMILES notation for 2-(2-bromoprop-2-enylamino)-2-cyclopropylacetic acid?
The canonical SMILES for 2-(2-bromoprop-2-enylamino)-2-cyclopropylacetic acid is C=C(Br)CNC(C(=O)O)C1CC1.
What is the InChIKey of 2-(2-bromoprop-2-enylamino)-2-cyclopropylacetic acid?
The InChIKey is ALEKFPMMAPAMBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrNO2/c1-5(9)4-10-7(8(11)12)6-2-3-6/h6-7,10H,1-4H2,(H,11,12).
What are the key properties of 2-(2-bromoprop-2-enylamino)-2-cyclopropylacetic acid?
2-(2-bromoprop-2-enylamino)-2-cyclopropylacetic acid has a molecular weight of 234.09 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromoprop-2-enylamino)-2-cyclopropylacetic acid is sourced from PubChem (CID 62695608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).