ethyl 2-cyclopropyl-3-pentoxy-2-(propan-2-ylamino)propanoate

C16H31NO3 — CID 63920206

IUPACethyl 2-cyclopropyl-3-pentoxy-2-(propan-2-ylamino)propanoate
SMILESCCCCCOCC(NC(C)C)(C(=O)OCC)C1CC1
InChIInChI=1S/C16H31NO3/c1-5-7-8-11-19-12-16(14-9-10-14,17-13(3)4)15(18)20-6-2/h13-14,17H,5-12H2,1-4H3
InChIKeyNBAJXQADVGOOJQ-UHFFFAOYSA-N
MW285.43 g/mol
LogP2.90
Rot. Bonds11

About ethyl 2-cyclopropyl-3-pentoxy-2-(propan-2-ylamino)propanoate

ethyl 2-cyclopropyl-3-pentoxy-2-(propan-2-ylamino)propanoate (PubChem CID 63920206) has the molecular formula C16H31NO3 and a molecular weight of 285.43 g/mol. Its IUPAC name is ethyl 2-cyclopropyl-3-pentoxy-2-(propan-2-ylamino)propanoate.

Molecular Properties

Compound Nameethyl 2-cyclopropyl-3-pentoxy-2-(propan-2-ylamino)propanoate
PubChem CID63920206
Molecular FormulaC16H31NO3
Molecular Weight285.43 g/mol
Exact Mass285.23
IUPAC Nameethyl 2-cyclopropyl-3-pentoxy-2-(propan-2-ylamino)propanoate
SMILESCCCCCOCC(NC(C)C)(C(=O)OCC)C1CC1
InChIInChI=1S/C16H31NO3/c1-5-7-8-11-19-12-16(14-9-10-14,17-13(3)4)15(18)20-6-2/h13-14,17H,5-12H2,1-4H3
InChIKeyNBAJXQADVGOOJQ-UHFFFAOYSA-N
XLogP2.90
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-cyclopropyl-3-octoxy-2-(propan-2-ylamino)propanamide
CID 63918759
ethyl 2-cyclopropyl-3-heptoxy-2-(methylamino)propanoate
CID 63921121
2-cyclopropyl-3-octoxy-2-(propan-2-ylamino)propanoic acid
CID 63919147
ethyl 3-cyclopentyloxy-2-cyclopropyl-2-(propan-2-ylamino)propanoate
CID 63920958
ethyl 2-amino-2-cyclopropyl-3-heptoxypropanoate
CID 63921710
ethyl 2-amino-2-cyclopropyl-3-hexoxypropanoate
CID 63921508
ethyl 2-cyclopropyl-3-(2-methylpropylsulfanyl)-2-(propan-2-ylamino)propanoate
CID 63916082
ethyl 2-cyclopropyl-3-(3-methoxypropoxy)-2-(methylamino)propanoate
CID 63918950
ethyl 2-cyclopropyl-3-[methyl(pentan-2-yl)amino]-2-(propan-2-ylamino)propanoate
CID 63909152
ethyl 2-cyclopropyl-3-(oxolan-3-yloxy)-2-(propan-2-ylamino)propanoate
CID 63921391
2-cyclopropyl-3-(2-methoxyethoxy)-2-(propan-2-ylamino)propanamide
CID 63919567
ethyl 2-cyclopropyl-2-(propan-2-ylamino)-3-pyrimidin-2-ylsulfanylpropanoate
CID 63915936

Frequently Asked Questions

What is the IUPAC name of ethyl 2-cyclopropyl-3-pentoxy-2-(propan-2-ylamino)propanoate?
The IUPAC name of ethyl 2-cyclopropyl-3-pentoxy-2-(propan-2-ylamino)propanoate (CID 63920206) is ethyl 2-cyclopropyl-3-pentoxy-2-(propan-2-ylamino)propanoate.
What is the SMILES notation for ethyl 2-cyclopropyl-3-pentoxy-2-(propan-2-ylamino)propanoate?
The canonical SMILES for ethyl 2-cyclopropyl-3-pentoxy-2-(propan-2-ylamino)propanoate is CCCCCOCC(NC(C)C)(C(=O)OCC)C1CC1.
What is the InChIKey of ethyl 2-cyclopropyl-3-pentoxy-2-(propan-2-ylamino)propanoate?
The InChIKey is NBAJXQADVGOOJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO3/c1-5-7-8-11-19-12-16(14-9-10-14,17-13(3)4)15(18)20-6-2/h13-14,17H,5-12H2,1-4H3.
What are the key properties of ethyl 2-cyclopropyl-3-pentoxy-2-(propan-2-ylamino)propanoate?
ethyl 2-cyclopropyl-3-pentoxy-2-(propan-2-ylamino)propanoate has a molecular weight of 285.43 g/mol, XLogP of 2.90, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-cyclopropyl-3-pentoxy-2-(propan-2-ylamino)propanoate is sourced from PubChem (CID 63920206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).