2-[cyclopropyl(5-methylheptan-3-yl)amino]acetic acid

C13H25NO2 — CID 65057817

IUPAC2-[cyclopropyl(5-methylheptan-3-yl)amino]acetic acid
SMILESCCC(C)CC(CC)N(CC(=O)O)C1CC1
InChIInChI=1S/C13H25NO2/c1-4-10(3)8-11(5-2)14(9-13(15)16)12-6-7-12/h10-12H,4-9H2,1-3H3,(H,15,16)
InChIKeyCBSHSBYYVQZOBQ-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.75
Rot. Bonds8

About 2-[cyclopropyl(5-methylheptan-3-yl)amino]acetic acid

2-[cyclopropyl(5-methylheptan-3-yl)amino]acetic acid (PubChem CID 65057817) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-[cyclopropyl(5-methylheptan-3-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl(5-methylheptan-3-yl)amino]acetic acid
PubChem CID65057817
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name2-[cyclopropyl(5-methylheptan-3-yl)amino]acetic acid
SMILESCCC(C)CC(CC)N(CC(=O)O)C1CC1
InChIInChI=1S/C13H25NO2/c1-4-10(3)8-11(5-2)14(9-13(15)16)12-6-7-12/h10-12H,4-9H2,1-3H3,(H,15,16)
InChIKeyCBSHSBYYVQZOBQ-UHFFFAOYSA-N
XLogP2.75
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[cyclopropyl(5-methylheptan-3-yl)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-[cyclopropyl(heptan-3-yl)amino]acetic acid
CID 65058172
2-[cyclopentyl(4-methylpentan-2-yl)amino]acetic acid
CID 65058452
2-[cyclopentyl(3-methylpentan-2-yl)amino]acetic acid
CID 65058642
2-[cyclopentyl(2-methylpentan-3-yl)amino]acetic acid
CID 65058785
2-[butan-2-yl-(1-methylpiperidin-4-yl)amino]acetic acid
CID 65062596
2-[butan-2-yl-[4-(2-methylbutan-2-yl)cyclohexyl]amino]acetic acid
CID 65057438
2-[cyclopropyl-(1-hydroxy-3-oxobutan-2-yl)amino]acetic acid
CID 59945897
2-[methyl(5-methylheptan-3-yl)amino]butanoic acid
CID 65067988
2-[cyclopropyl-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]acetic acid
CID 54945067
methyl 2-[cyclopentyl(pentan-3-yl)amino]acetate
CID 115536847
2-[propan-2-yl-(1-propan-2-ylpiperidin-4-yl)amino]acetic acid
CID 65057099
2-[cyclopropyl-[1-(3-methylbutylamino)-1-oxopropan-2-yl]amino]acetic acid
CID 54945162

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(5-methylheptan-3-yl)amino]acetic acid?
The IUPAC name of 2-[cyclopropyl(5-methylheptan-3-yl)amino]acetic acid (CID 65057817) is 2-[cyclopropyl(5-methylheptan-3-yl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl(5-methylheptan-3-yl)amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl(5-methylheptan-3-yl)amino]acetic acid is CCC(C)CC(CC)N(CC(=O)O)C1CC1.
What is the InChIKey of 2-[cyclopropyl(5-methylheptan-3-yl)amino]acetic acid?
The InChIKey is CBSHSBYYVQZOBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-4-10(3)8-11(5-2)14(9-13(15)16)12-6-7-12/h10-12H,4-9H2,1-3H3,(H,15,16).
What are the key properties of 2-[cyclopropyl(5-methylheptan-3-yl)amino]acetic acid?
2-[cyclopropyl(5-methylheptan-3-yl)amino]acetic acid has a molecular weight of 227.35 g/mol, XLogP of 2.75, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(5-methylheptan-3-yl)amino]acetic acid is sourced from PubChem (CID 65057817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).