2-(methylamino)-4-pentoxybutanoic acid

C10H21NO3 — CID 63034607

IUPAC2-(methylamino)-4-pentoxybutanoic acid
SMILESCCCCCOCCC(NC)C(=O)O
InChIInChI=1S/C10H21NO3/c1-3-4-5-7-14-8-6-9(11-2)10(12)13/h9,11H,3-8H2,1-2H3,(H,12,13)
InChIKeyPSNHTSNZRMDGNV-UHFFFAOYSA-N
MW203.28 g/mol
LogP1.26
Rot. Bonds9

About 2-(methylamino)-4-pentoxybutanoic acid

2-(methylamino)-4-pentoxybutanoic acid (PubChem CID 63034607) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is 2-(methylamino)-4-pentoxybutanoic acid.

Molecular Properties

Compound Name2-(methylamino)-4-pentoxybutanoic acid
PubChem CID63034607
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Name2-(methylamino)-4-pentoxybutanoic acid
SMILESCCCCCOCCC(NC)C(=O)O
InChIInChI=1S/C10H21NO3/c1-3-4-5-7-14-8-6-9(11-2)10(12)13/h9,11H,3-8H2,1-2H3,(H,12,13)
InChIKeyPSNHTSNZRMDGNV-UHFFFAOYSA-N
XLogP1.26
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 51.26
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

(2R)-3-butoxy-2-(methylamino)propanoic acid
CID 89283521
4-(2-butoxyethoxy)-2-(propan-2-ylamino)butanoic acid
CID 63041335
(2R)-2-(methylamino)pentanoic acid
CID 15677248
4-(cyclopropylmethoxy)-2-(methylamino)butanoic acid
CID 63040806
4-(2-butoxyethoxy)-2-(cyclopropylamino)butanoic acid
CID 63040953
4-hydroperoxy-2-(methylamino)butanoic acid
CID 59881531
2-(ethylamino)-4-pentoxybutanamide
CID 63034257
2-(ethylamino)-4-propoxybutanoic acid
CID 63034950
(2S)-2-(methylamino)-3-propoxypropanoic acid
CID 142490785
2-(methylamino)-5-oxo-5-[2-[2-[2-oxo-2-[2-[2-[2-oxo-2-(pentylamino)ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]pentanoic acid
CID 145263476
2-(ethylamino)-4-(2-propoxyethoxy)butanoic acid
CID 63685674
2-(methylamino)-4-[methyl(pentyl)amino]butanoic acid
CID 63029021

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-4-pentoxybutanoic acid?
The IUPAC name of 2-(methylamino)-4-pentoxybutanoic acid (CID 63034607) is 2-(methylamino)-4-pentoxybutanoic acid.
What is the SMILES notation for 2-(methylamino)-4-pentoxybutanoic acid?
The canonical SMILES for 2-(methylamino)-4-pentoxybutanoic acid is CCCCCOCCC(NC)C(=O)O.
What is the InChIKey of 2-(methylamino)-4-pentoxybutanoic acid?
The InChIKey is PSNHTSNZRMDGNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3/c1-3-4-5-7-14-8-6-9(11-2)10(12)13/h9,11H,3-8H2,1-2H3,(H,12,13).
What are the key properties of 2-(methylamino)-4-pentoxybutanoic acid?
2-(methylamino)-4-pentoxybutanoic acid has a molecular weight of 203.28 g/mol, XLogP of 1.26, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-4-pentoxybutanoic acid is sourced from PubChem (CID 63034607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).