2-[(3-butoxy-2-hydroxypropyl)-cyclopropylamino]acetic acid

C12H23NO4 — CID 107263550

IUPAC2-[(3-butoxy-2-hydroxypropyl)-cyclopropylamino]acetic acid
SMILESCCCCOCC(O)CN(CC(=O)O)C1CC1
InChIInChI=1S/C12H23NO4/c1-2-3-6-17-9-11(14)7-13(8-12(15)16)10-4-5-10/h10-11,14H,2-9H2,1H3,(H,15,16)
InChIKeyUUEICQYUTAVEEM-UHFFFAOYSA-N
MW245.32 g/mol
LogP0.71
Rot. Bonds10

About 2-[(3-butoxy-2-hydroxypropyl)-cyclopropylamino]acetic acid

2-[(3-butoxy-2-hydroxypropyl)-cyclopropylamino]acetic acid (PubChem CID 107263550) has the molecular formula C12H23NO4 and a molecular weight of 245.32 g/mol. Its IUPAC name is 2-[(3-butoxy-2-hydroxypropyl)-cyclopropylamino]acetic acid.

Molecular Properties

Compound Name2-[(3-butoxy-2-hydroxypropyl)-cyclopropylamino]acetic acid
PubChem CID107263550
Molecular FormulaC12H23NO4
Molecular Weight245.32 g/mol
Exact Mass245.16
IUPAC Name2-[(3-butoxy-2-hydroxypropyl)-cyclopropylamino]acetic acid
SMILESCCCCOCC(O)CN(CC(=O)O)C1CC1
InChIInChI=1S/C12H23NO4/c1-2-3-6-17-9-11(14)7-13(8-12(15)16)10-4-5-10/h10-11,14H,2-9H2,1H3,(H,15,16)
InChIKeyUUEICQYUTAVEEM-UHFFFAOYSA-N
XLogP0.71
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[(3-butoxy-2-hydroxypropyl)-cyclopropylamino]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-[[(2R)-3-butoxy-2-hydroxypropyl]-(carboxymethyl)amino]acetic acid
CID 124630639
2-[2-[2-(2-butoxyethoxy)ethoxy]ethyl-cyclopropylamino]acetic acid
CID 104564790
2-[(1,1-dioxothiolan-3-yl)-(3-ethoxy-2-hydroxypropyl)amino]acetic acid
CID 63931578
sodium 2-[(3-butoxy-2-hydroxypropyl)-(carboxymethyl)amino]acetate
CID 56842597
1-butoxy-3-[cyclopropyl(furan-2-ylmethyl)amino]propan-2-ol
CID 107263830
methyl 2-[(3-butoxy-2-hydroxypropyl)-propan-2-ylamino]acetate
CID 107264311
3-[carboxymethyl(cyclopropyl)amino]-2-methylpropanoic acid
CID 82327511
3-[bis(3-butoxy-2-hydroxypropyl)amino]butan-2-one
CID 89130690
1-[cyclobutyl(3-hydroxypropyl)amino]-3-(2-methoxyethoxy)propan-2-ol
CID 106992282
1-butoxy-3-[(4,4-dimethylcyclohexyl)-methylamino]propan-2-ol
CID 107263935
(2R)-1-butoxybutan-2-ol
CID 27255938
(2R)-1-[2-(2-butoxyethoxy)ethoxy]-3-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethoxy]propan-2-ol
CID 92518845

Frequently Asked Questions

What is the IUPAC name of 2-[(3-butoxy-2-hydroxypropyl)-cyclopropylamino]acetic acid?
The IUPAC name of 2-[(3-butoxy-2-hydroxypropyl)-cyclopropylamino]acetic acid (CID 107263550) is 2-[(3-butoxy-2-hydroxypropyl)-cyclopropylamino]acetic acid.
What is the SMILES notation for 2-[(3-butoxy-2-hydroxypropyl)-cyclopropylamino]acetic acid?
The canonical SMILES for 2-[(3-butoxy-2-hydroxypropyl)-cyclopropylamino]acetic acid is CCCCOCC(O)CN(CC(=O)O)C1CC1.
What is the InChIKey of 2-[(3-butoxy-2-hydroxypropyl)-cyclopropylamino]acetic acid?
The InChIKey is UUEICQYUTAVEEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO4/c1-2-3-6-17-9-11(14)7-13(8-12(15)16)10-4-5-10/h10-11,14H,2-9H2,1H3,(H,15,16).
What are the key properties of 2-[(3-butoxy-2-hydroxypropyl)-cyclopropylamino]acetic acid?
2-[(3-butoxy-2-hydroxypropyl)-cyclopropylamino]acetic acid has a molecular weight of 245.32 g/mol, XLogP of 0.71, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-butoxy-2-hydroxypropyl)-cyclopropylamino]acetic acid is sourced from PubChem (CID 107263550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).