2-(cyclopropylamino)-3-(2-methylpentoxy)propanoic acid

C12H23NO3 — CID 103284916

IUPAC2-(cyclopropylamino)-3-(2-methylpentoxy)propanoic acid
SMILESCCCC(C)COCC(NC1CC1)C(=O)O
InChIInChI=1S/C12H23NO3/c1-3-4-9(2)7-16-8-11(12(14)15)13-10-5-6-10/h9-11,13H,3-8H2,1-2H3,(H,14,15)
InChIKeySTEJFFONINKRDM-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.64
Rot. Bonds9

About 2-(cyclopropylamino)-3-(2-methylpentoxy)propanoic acid

2-(cyclopropylamino)-3-(2-methylpentoxy)propanoic acid (PubChem CID 103284916) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is 2-(cyclopropylamino)-3-(2-methylpentoxy)propanoic acid.

Molecular Properties

Compound Name2-(cyclopropylamino)-3-(2-methylpentoxy)propanoic acid
PubChem CID103284916
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name2-(cyclopropylamino)-3-(2-methylpentoxy)propanoic acid
SMILESCCCC(C)COCC(NC1CC1)C(=O)O
InChIInChI=1S/C12H23NO3/c1-3-4-9(2)7-16-8-11(12(14)15)13-10-5-6-10/h9-11,13H,3-8H2,1-2H3,(H,14,15)
InChIKeySTEJFFONINKRDM-UHFFFAOYSA-N
XLogP1.64
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylamino)-3-methoxypropanoic acid;hydrochloride
CID 75493650
(2R)-2-(cyclopropylamino)-3-pentan-2-ylsulfinylpropanoic acid
CID 146614142
4-(2-butoxyethoxy)-2-(cyclopropylamino)butanoic acid
CID 63040953
2-(cyclopropylamino)heptanoic acid
CID 43754511
N-[2-methyl-3-(2-methylpentoxy)propyl]cyclopropanamine
CID 103284483
2-amino-3-(2-methylpentoxy)propanoic acid
CID 103282764
2-(methylamino)-3-(2-methylpentoxy)propanamide
CID 103284904
2-(cyclopropylamino)-3-(3,3,3-trifluoropropoxy)propanoic acid
CID 82956739
2-(cyclopropylamino)-4-(2-ethylhexoxy)butanoic acid
CID 55144725
2-(cyclopropylamino)-4-[propan-2-yl(propyl)amino]butanoic acid
CID 63028053
methyl 2-(cyclopropylamino)-3-(2,2-difluoroethoxy)propanoate
CID 82007078
2-cyclopropyl-2-(2-methylpentoxy)acetic acid
CID 103282788

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-3-(2-methylpentoxy)propanoic acid?
The IUPAC name of 2-(cyclopropylamino)-3-(2-methylpentoxy)propanoic acid (CID 103284916) is 2-(cyclopropylamino)-3-(2-methylpentoxy)propanoic acid.
What is the SMILES notation for 2-(cyclopropylamino)-3-(2-methylpentoxy)propanoic acid?
The canonical SMILES for 2-(cyclopropylamino)-3-(2-methylpentoxy)propanoic acid is CCCC(C)COCC(NC1CC1)C(=O)O.
What is the InChIKey of 2-(cyclopropylamino)-3-(2-methylpentoxy)propanoic acid?
The InChIKey is STEJFFONINKRDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-3-4-9(2)7-16-8-11(12(14)15)13-10-5-6-10/h9-11,13H,3-8H2,1-2H3,(H,14,15).
What are the key properties of 2-(cyclopropylamino)-3-(2-methylpentoxy)propanoic acid?
2-(cyclopropylamino)-3-(2-methylpentoxy)propanoic acid has a molecular weight of 229.32 g/mol, XLogP of 1.64, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-3-(2-methylpentoxy)propanoic acid is sourced from PubChem (CID 103284916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).