2-(cyclopropylamino)-4-(2-ethylhexoxy)butanoic acid

C15H29NO3 — CID 55144725

IUPAC2-(cyclopropylamino)-4-(2-ethylhexoxy)butanoic acid
SMILESCCCCC(CC)COCCC(NC1CC1)C(=O)O
InChIInChI=1S/C15H29NO3/c1-3-5-6-12(4-2)11-19-10-9-14(15(17)18)16-13-7-8-13/h12-14,16H,3-11H2,1-2H3,(H,17,18)
InChIKeyDVSLGHUQQNQAKW-UHFFFAOYSA-N
MW271.40 g/mol
LogP2.81
Rot. Bonds12

About 2-(cyclopropylamino)-4-(2-ethylhexoxy)butanoic acid

2-(cyclopropylamino)-4-(2-ethylhexoxy)butanoic acid (PubChem CID 55144725) has the molecular formula C15H29NO3 and a molecular weight of 271.40 g/mol. Its IUPAC name is 2-(cyclopropylamino)-4-(2-ethylhexoxy)butanoic acid.

Molecular Properties

Compound Name2-(cyclopropylamino)-4-(2-ethylhexoxy)butanoic acid
PubChem CID55144725
Molecular FormulaC15H29NO3
Molecular Weight271.40 g/mol
Exact Mass271.21
IUPAC Name2-(cyclopropylamino)-4-(2-ethylhexoxy)butanoic acid
SMILESCCCCC(CC)COCCC(NC1CC1)C(=O)O
InChIInChI=1S/C15H29NO3/c1-3-5-6-12(4-2)11-19-10-9-14(15(17)18)16-13-7-8-13/h12-14,16H,3-11H2,1-2H3,(H,17,18)
InChIKeyDVSLGHUQQNQAKW-UHFFFAOYSA-N
XLogP2.81
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-(cyclopropylamino)-4-(2-ethylhexoxy)butanoate
CID 63039838
4-(2-butoxyethoxy)-2-(cyclopropylamino)butanoic acid
CID 63040953
2-(cyclopropylamino)heptanoic acid
CID 43754511
N-[5-(2-ethylhexoxy)pentyl]cyclopropanamine
CID 62457946
2-[2-(2-ethylhexoxy)ethoxy]ethyl 2-methylbutanoate
CID 88869563
2-(cyclohexylamino)heptanoic acid
CID 60998800
2-(cyclopropylamino)-3-(2-methylpentoxy)propanoic acid
CID 103284916
4-[butan-2-yl(butyl)amino]-2-(cyclopropylamino)butanoic acid
CID 55145482
2-(cyclopropylamino)-3-methoxypropanoic acid;hydrochloride
CID 75493650
2-(2-ethylhexoxy)acetic acid
CID 11651287
2-ethyl-5-(2-ethylhexoxy)-2-(methylamino)pentanoic acid
CID 106806801
(3R)-3-[[(2R)-2-ethylhexoxy]methyl]heptane
CID 91827254

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-4-(2-ethylhexoxy)butanoic acid?
The IUPAC name of 2-(cyclopropylamino)-4-(2-ethylhexoxy)butanoic acid (CID 55144725) is 2-(cyclopropylamino)-4-(2-ethylhexoxy)butanoic acid.
What is the SMILES notation for 2-(cyclopropylamino)-4-(2-ethylhexoxy)butanoic acid?
The canonical SMILES for 2-(cyclopropylamino)-4-(2-ethylhexoxy)butanoic acid is CCCCC(CC)COCCC(NC1CC1)C(=O)O.
What is the InChIKey of 2-(cyclopropylamino)-4-(2-ethylhexoxy)butanoic acid?
The InChIKey is DVSLGHUQQNQAKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO3/c1-3-5-6-12(4-2)11-19-10-9-14(15(17)18)16-13-7-8-13/h12-14,16H,3-11H2,1-2H3,(H,17,18).
What are the key properties of 2-(cyclopropylamino)-4-(2-ethylhexoxy)butanoic acid?
2-(cyclopropylamino)-4-(2-ethylhexoxy)butanoic acid has a molecular weight of 271.40 g/mol, XLogP of 2.81, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-4-(2-ethylhexoxy)butanoic acid is sourced from PubChem (CID 55144725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).