2-[(3-chloro-2-methylprop-2-enyl)-(cyclopropylmethyl)amino]acetic acid

C10H16ClNO2 — CID 106439202

IUPAC2-[(3-chloro-2-methylprop-2-enyl)-(cyclopropylmethyl)amino]acetic acid
SMILESCC(=CCl)CN(CC(=O)O)CC1CC1
InChIInChI=1S/C10H16ClNO2/c1-8(4-11)5-12(7-10(13)14)6-9-2-3-9/h4,9H,2-3,5-7H2,1H3,(H,13,14)
InChIKeyHFAVULWXJGAUIB-UHFFFAOYSA-N
MW217.70 g/mol
LogP1.93
Rot. Bonds6

About 2-[(3-chloro-2-methylprop-2-enyl)-(cyclopropylmethyl)amino]acetic acid

2-[(3-chloro-2-methylprop-2-enyl)-(cyclopropylmethyl)amino]acetic acid (PubChem CID 106439202) has the molecular formula C10H16ClNO2 and a molecular weight of 217.70 g/mol. Its IUPAC name is 2-[(3-chloro-2-methylprop-2-enyl)-(cyclopropylmethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(3-chloro-2-methylprop-2-enyl)-(cyclopropylmethyl)amino]acetic acid
PubChem CID106439202
Molecular FormulaC10H16ClNO2
Molecular Weight217.70 g/mol
Exact Mass217.09
IUPAC Name2-[(3-chloro-2-methylprop-2-enyl)-(cyclopropylmethyl)amino]acetic acid
SMILESCC(=CCl)CN(CC(=O)O)CC1CC1
InChIInChI=1S/C10H16ClNO2/c1-8(4-11)5-12(7-10(13)14)6-9-2-3-9/h4,9H,2-3,5-7H2,1H3,(H,13,14)
InChIKeyHFAVULWXJGAUIB-UHFFFAOYSA-N
XLogP1.93
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.70
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[(3-chloro-2-methylprop-2-enyl)-(cyclopropylmethyl)amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[cyclopropylmethyl-[2-(diethylamino)ethyl]amino]acetic acid
CID 43656536
2-[cyclopropylmethyl-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]amino]acetic acid
CID 43656730
2-[cyclopropylmethyl(2-ethylbutyl)amino]acetic acid
CID 65054998
2-[(2-amino-2-oxoethyl)-(cyclobutylmethyl)amino]acetic acid
CID 107440783
2-[cyclopropylmethyl-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]amino]acetic acid
CID 43656855
2-[[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-(cyclopropylmethyl)amino]acetic acid
CID 43656726
2-[cyclopropylmethyl-[(2,4,5-trimethylphenyl)methyl]amino]acetic acid
CID 114078379
2-[cyclopropylmethyl-[2-(ethoxycarbonylamino)-2-oxoethyl]amino]acetic acid
CID 43656480
2-[cyclopropylmethyl-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]amino]acetic acid
CID 43656905
2-[[3-(cyclopropylamino)-3-oxopropyl]-(cyclopropylmethyl)amino]acetic acid
CID 62626506
2-[cyclopropylmethyl(2-methylpentyl)amino]acetic acid
CID 62265201
2-[cyclopropylmethyl(3,3,3-trifluoropropyl)amino]acetic acid
CID 64566526

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-2-methylprop-2-enyl)-(cyclopropylmethyl)amino]acetic acid?
The IUPAC name of 2-[(3-chloro-2-methylprop-2-enyl)-(cyclopropylmethyl)amino]acetic acid (CID 106439202) is 2-[(3-chloro-2-methylprop-2-enyl)-(cyclopropylmethyl)amino]acetic acid.
What is the SMILES notation for 2-[(3-chloro-2-methylprop-2-enyl)-(cyclopropylmethyl)amino]acetic acid?
The canonical SMILES for 2-[(3-chloro-2-methylprop-2-enyl)-(cyclopropylmethyl)amino]acetic acid is CC(=CCl)CN(CC(=O)O)CC1CC1.
What is the InChIKey of 2-[(3-chloro-2-methylprop-2-enyl)-(cyclopropylmethyl)amino]acetic acid?
The InChIKey is HFAVULWXJGAUIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClNO2/c1-8(4-11)5-12(7-10(13)14)6-9-2-3-9/h4,9H,2-3,5-7H2,1H3,(H,13,14).
What are the key properties of 2-[(3-chloro-2-methylprop-2-enyl)-(cyclopropylmethyl)amino]acetic acid?
2-[(3-chloro-2-methylprop-2-enyl)-(cyclopropylmethyl)amino]acetic acid has a molecular weight of 217.70 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-2-methylprop-2-enyl)-(cyclopropylmethyl)amino]acetic acid is sourced from PubChem (CID 106439202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).