2-cyclopropyl-2-(ethylamino)-3-(oxolan-2-ylmethoxy)propanoic acid

C13H23NO4 — CID 63921325

IUPAC2-cyclopropyl-2-(ethylamino)-3-(oxolan-2-ylmethoxy)propanoic acid
SMILESCCNC(COCC1CCCO1)(C(=O)O)C1CC1
InChIInChI=1S/C13H23NO4/c1-2-14-13(12(15)16,10-5-6-10)9-17-8-11-4-3-7-18-11/h10-11,14H,2-9H2,1H3,(H,15,16)
InChIKeyCUQCHYXAOBIQFB-UHFFFAOYSA-N
MW257.33 g/mol
LogP1.02
Rot. Bonds8

About 2-cyclopropyl-2-(ethylamino)-3-(oxolan-2-ylmethoxy)propanoic acid

2-cyclopropyl-2-(ethylamino)-3-(oxolan-2-ylmethoxy)propanoic acid (PubChem CID 63921325) has the molecular formula C13H23NO4 and a molecular weight of 257.33 g/mol. Its IUPAC name is 2-cyclopropyl-2-(ethylamino)-3-(oxolan-2-ylmethoxy)propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-(ethylamino)-3-(oxolan-2-ylmethoxy)propanoic acid
PubChem CID63921325
Molecular FormulaC13H23NO4
Molecular Weight257.33 g/mol
Exact Mass257.16
IUPAC Name2-cyclopropyl-2-(ethylamino)-3-(oxolan-2-ylmethoxy)propanoic acid
SMILESCCNC(COCC1CCCO1)(C(=O)O)C1CC1
InChIInChI=1S/C13H23NO4/c1-2-14-13(12(15)16,10-5-6-10)9-17-8-11-4-3-7-18-11/h10-11,14H,2-9H2,1H3,(H,15,16)
InChIKeyCUQCHYXAOBIQFB-UHFFFAOYSA-N
XLogP1.02
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-methyl-2-[[2-[[(2R)-oxolan-2-yl]methoxy]acetyl]amino]pentanoic acid
CID 97233797
N-ethyl-2,2-dimethyl-3-(oxolan-2-ylmethoxy)propan-1-amine
CID 79621620
2-cyclopropyl-2-(ethylamino)-3-(2-methylphenoxy)propanoic acid
CID 63919210
1-(oxolan-2-ylmethoxy)propan-2-one
CID 43798300
2,2-dimethyl-5-(oxolan-2-ylmethoxy)pentanoic acid
CID 65259862
2,2-dimethyl-3-[3-(oxolan-2-ylmethoxy)propanoylamino]propanoic acid
CID 119249846
3-(oxolan-2-ylmethoxymethyl)pentan-3-amine
CID 64571645
2-cyclopropyl-2-(cyclopropylamino)-3-[ethyl(oxolan-2-ylmethyl)amino]propanoic acid
CID 63909372
2-cyclopropyl-2-(oxan-2-ylmethylamino)propanoic acid
CID 114995613
2-(ethylamino)-2-methyl-N,N-bis(oxolan-2-ylmethyl)propanamide
CID 62836813
1-(ethylamino)-2-methyl-3-(oxan-2-ylmethoxy)propan-2-ol
CID 66335337
ethyl 2-[[(2R)-oxolan-2-yl]methoxy]acetate
CID 28940137

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(ethylamino)-3-(oxolan-2-ylmethoxy)propanoic acid?
The IUPAC name of 2-cyclopropyl-2-(ethylamino)-3-(oxolan-2-ylmethoxy)propanoic acid (CID 63921325) is 2-cyclopropyl-2-(ethylamino)-3-(oxolan-2-ylmethoxy)propanoic acid.
What is the SMILES notation for 2-cyclopropyl-2-(ethylamino)-3-(oxolan-2-ylmethoxy)propanoic acid?
The canonical SMILES for 2-cyclopropyl-2-(ethylamino)-3-(oxolan-2-ylmethoxy)propanoic acid is CCNC(COCC1CCCO1)(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(ethylamino)-3-(oxolan-2-ylmethoxy)propanoic acid?
The InChIKey is CUQCHYXAOBIQFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO4/c1-2-14-13(12(15)16,10-5-6-10)9-17-8-11-4-3-7-18-11/h10-11,14H,2-9H2,1H3,(H,15,16).
What are the key properties of 2-cyclopropyl-2-(ethylamino)-3-(oxolan-2-ylmethoxy)propanoic acid?
2-cyclopropyl-2-(ethylamino)-3-(oxolan-2-ylmethoxy)propanoic acid has a molecular weight of 257.33 g/mol, XLogP of 1.02, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(ethylamino)-3-(oxolan-2-ylmethoxy)propanoic acid is sourced from PubChem (CID 63921325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).