4-(cyclopropylmethoxy)-2-(methylamino)butanoic acid

C9H17NO3 — CID 63040806

IUPAC4-(cyclopropylmethoxy)-2-(methylamino)butanoic acid
SMILESCNC(CCOCC1CC1)C(=O)O
InChIInChI=1S/C9H17NO3/c1-10-8(9(11)12)4-5-13-6-7-2-3-7/h7-8,10H,2-6H2,1H3,(H,11,12)
InChIKeySNTBALMCVWSAJL-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.48
Rot. Bonds7

About 4-(cyclopropylmethoxy)-2-(methylamino)butanoic acid

4-(cyclopropylmethoxy)-2-(methylamino)butanoic acid (PubChem CID 63040806) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is 4-(cyclopropylmethoxy)-2-(methylamino)butanoic acid.

Molecular Properties

Compound Name4-(cyclopropylmethoxy)-2-(methylamino)butanoic acid
PubChem CID63040806
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name4-(cyclopropylmethoxy)-2-(methylamino)butanoic acid
SMILESCNC(CCOCC1CC1)C(=O)O
InChIInChI=1S/C9H17NO3/c1-10-8(9(11)12)4-5-13-6-7-2-3-7/h7-8,10H,2-6H2,1H3,(H,11,12)
InChIKeySNTBALMCVWSAJL-UHFFFAOYSA-N
XLogP0.48
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.48
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

4-(cyclohexylmethoxy)-2-(methylamino)butanamide
CID 63035501
4-(cyclohexylmethoxy)-2-(ethylamino)butanoic acid
CID 63034967
2-(methylamino)-4-pentoxybutanoic acid
CID 63034607
4-(cyclopropylmethoxy)-2-(propan-2-ylamino)butanamide
CID 63041185
4-hydroperoxy-2-(methylamino)butanoic acid
CID 59881531
2-(cyclopropylamino)-4-(cyclopropylmethoxy)butanamide
CID 63040627
2-(methylamino)-4-(oxan-4-yloxy)butanoic acid
CID 63040373
2-[3-(cyclopropylmethoxy)propylcarbamoylamino]butanoic acid
CID 103994493
2-(methylamino)-4-(oxolan-3-yloxy)butanoic acid
CID 63557695
(2S)-2-amino-4-(cyclobutylmethoxy)butanoic acid
CID 165445623
(2S)-2-[3-(cyclopropylmethoxy)propanoylamino]propanoic acid
CID 119943235
3-methylbutoxymethylcyclopropane
CID 58970607

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethoxy)-2-(methylamino)butanoic acid?
The IUPAC name of 4-(cyclopropylmethoxy)-2-(methylamino)butanoic acid (CID 63040806) is 4-(cyclopropylmethoxy)-2-(methylamino)butanoic acid.
What is the SMILES notation for 4-(cyclopropylmethoxy)-2-(methylamino)butanoic acid?
The canonical SMILES for 4-(cyclopropylmethoxy)-2-(methylamino)butanoic acid is CNC(CCOCC1CC1)C(=O)O.
What is the InChIKey of 4-(cyclopropylmethoxy)-2-(methylamino)butanoic acid?
The InChIKey is SNTBALMCVWSAJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-10-8(9(11)12)4-5-13-6-7-2-3-7/h7-8,10H,2-6H2,1H3,(H,11,12).
What are the key properties of 4-(cyclopropylmethoxy)-2-(methylamino)butanoic acid?
4-(cyclopropylmethoxy)-2-(methylamino)butanoic acid has a molecular weight of 187.24 g/mol, XLogP of 0.48, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethoxy)-2-(methylamino)butanoic acid is sourced from PubChem (CID 63040806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).