2-[[3-(cyclohexylamino)-3-oxopropyl]-(cyclopropylmethyl)amino]acetic acid

C15H26N2O3 — CID 43656450

IUPAC2-[[3-(cyclohexylamino)-3-oxopropyl]-(cyclopropylmethyl)amino]acetic acid
SMILESO=C(O)CN(CCC(=O)NC1CCCCC1)CC1CC1
InChIInChI=1S/C15H26N2O3/c18-14(16-13-4-2-1-3-5-13)8-9-17(11-15(19)20)10-12-6-7-12/h12-13H,1-11H2,(H,16,18)(H,19,20)
InChIKeyZWLROOIBLWXPIC-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.62
Rot. Bonds8

About 2-[[3-(cyclohexylamino)-3-oxopropyl]-(cyclopropylmethyl)amino]acetic acid

2-[[3-(cyclohexylamino)-3-oxopropyl]-(cyclopropylmethyl)amino]acetic acid (PubChem CID 43656450) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 2-[[3-(cyclohexylamino)-3-oxopropyl]-(cyclopropylmethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[3-(cyclohexylamino)-3-oxopropyl]-(cyclopropylmethyl)amino]acetic acid
PubChem CID43656450
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name2-[[3-(cyclohexylamino)-3-oxopropyl]-(cyclopropylmethyl)amino]acetic acid
SMILESO=C(O)CN(CCC(=O)NC1CCCCC1)CC1CC1
InChIInChI=1S/C15H26N2O3/c18-14(16-13-4-2-1-3-5-13)8-9-17(11-15(19)20)10-12-6-7-12/h12-13H,1-11H2,(H,16,18)(H,19,20)
InChIKeyZWLROOIBLWXPIC-UHFFFAOYSA-N
XLogP1.62
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[3-(cyclohexylamino)-3-oxopropyl]-(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-[[3-(cyclopropylamino)-3-oxopropyl]-(cyclopropylmethyl)amino]acetic acid
CID 62626506
2-[[3-(cyclohexylamino)-3-oxopropyl]-methylamino]acetic acid
CID 43442622
3-[carboxymethyl-[2-(cyclopentylamino)-2-oxoethyl]amino]propanoic acid
CID 82327406
2-[[3-(cyclopropylamino)-3-oxopropyl]-ethylamino]acetic acid
CID 62627778
N-cyclohexyl-3-(dipropylamino)propanamide
CID 109014002
4-(cycloheptylamino)-4-oxobutanoic acid
CID 2932888
3-[[2-(cyclohexylamino)-2-oxoethyl]-(3-hydroxypropyl)amino]propanoic acid
CID 82326965
3-[[2-(cyclohexylamino)-2-oxoethyl]-methylamino]propanoic acid
CID 60986544
2-[[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-(cyclopropylmethyl)amino]acetic acid
CID 43656726
ethyl 2-[[3-(cyclohexylamino)-3-oxopropyl]-ethylamino]acetate
CID 62026563
2-[cyclopropylmethyl-[2-(diethylamino)ethyl]amino]acetic acid
CID 43656536
2-[[2-(cyclohexylamino)-2-oxoethyl]-cyclopropylamino]acetic acid
CID 54945026

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(cyclohexylamino)-3-oxopropyl]-(cyclopropylmethyl)amino]acetic acid?
The IUPAC name of 2-[[3-(cyclohexylamino)-3-oxopropyl]-(cyclopropylmethyl)amino]acetic acid (CID 43656450) is 2-[[3-(cyclohexylamino)-3-oxopropyl]-(cyclopropylmethyl)amino]acetic acid.
What is the SMILES notation for 2-[[3-(cyclohexylamino)-3-oxopropyl]-(cyclopropylmethyl)amino]acetic acid?
The canonical SMILES for 2-[[3-(cyclohexylamino)-3-oxopropyl]-(cyclopropylmethyl)amino]acetic acid is O=C(O)CN(CCC(=O)NC1CCCCC1)CC1CC1.
What is the InChIKey of 2-[[3-(cyclohexylamino)-3-oxopropyl]-(cyclopropylmethyl)amino]acetic acid?
The InChIKey is ZWLROOIBLWXPIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c18-14(16-13-4-2-1-3-5-13)8-9-17(11-15(19)20)10-12-6-7-12/h12-13H,1-11H2,(H,16,18)(H,19,20).
What are the key properties of 2-[[3-(cyclohexylamino)-3-oxopropyl]-(cyclopropylmethyl)amino]acetic acid?
2-[[3-(cyclohexylamino)-3-oxopropyl]-(cyclopropylmethyl)amino]acetic acid has a molecular weight of 282.38 g/mol, XLogP of 1.62, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(cyclohexylamino)-3-oxopropyl]-(cyclopropylmethyl)amino]acetic acid is sourced from PubChem (CID 43656450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).