2-amino-2-cyclopropyl-3-(3-ethylmorpholin-4-yl)propanoic acid

C12H22N2O3 — CID 63909942

IUPAC2-amino-2-cyclopropyl-3-(3-ethylmorpholin-4-yl)propanoic acid
SMILESCCC1COCCN1CC(N)(C(=O)O)C1CC1
InChIInChI=1S/C12H22N2O3/c1-2-10-7-17-6-5-14(10)8-12(13,11(15)16)9-3-4-9/h9-10H,2-8,13H2,1H3,(H,15,16)
InChIKeyJIVXESBEUDZTGI-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.29
Rot. Bonds5

About 2-amino-2-cyclopropyl-3-(3-ethylmorpholin-4-yl)propanoic acid

2-amino-2-cyclopropyl-3-(3-ethylmorpholin-4-yl)propanoic acid (PubChem CID 63909942) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-amino-2-cyclopropyl-3-(3-ethylmorpholin-4-yl)propanoic acid.

Molecular Properties

Compound Name2-amino-2-cyclopropyl-3-(3-ethylmorpholin-4-yl)propanoic acid
PubChem CID63909942
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name2-amino-2-cyclopropyl-3-(3-ethylmorpholin-4-yl)propanoic acid
SMILESCCC1COCCN1CC(N)(C(=O)O)C1CC1
InChIInChI=1S/C12H22N2O3/c1-2-10-7-17-6-5-14(10)8-12(13,11(15)16)9-3-4-9/h9-10H,2-8,13H2,1H3,(H,15,16)
InChIKeyJIVXESBEUDZTGI-UHFFFAOYSA-N
XLogP0.29
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-ethylmorpholin-4-yl)methyl]-2-methylbutanoic acid
CID 62272323
2-amino-2-cyclopropyl-3-(3-ethylmorpholin-4-yl)propanenitrile
CID 63912223
2-amino-2-cyclopropyl-3-(3-methylmorpholin-4-yl)propanamide
CID 63911495
methyl 2-cyclopropyl-3-(3-ethylmorpholin-4-yl)-2-(propan-2-ylamino)propanoate
CID 63909549
methyl 2-amino-2-cyclopropyl-3-(5-ethyl-2-methylmorpholin-4-yl)propanoate
CID 63908889
2-cyclopropyl-3-(3-ethylmorpholin-4-yl)-2-(propan-2-ylamino)propan-1-ol
CID 64798573
2-amino-4-(3-ethylmorpholin-4-yl)butanoic acid
CID 63053517
2-[(3-ethylmorpholin-4-yl)methyl]furan-3-carboxylic acid
CID 43613412
2-[(3-ethylmorpholin-4-yl)methyl]-3,3,3-trifluoropropanoic acid
CID 80997073
4-(3-ethylmorpholin-4-yl)-3-methylbut-2-enoic acid
CID 77006511
1-[(3-ethylmorpholin-4-yl)methyl]cyclopentane-1-carboxylic acid
CID 62272325
3-(3-ethylmorpholin-4-yl)-2-methyl-2-phenylpropan-1-amine
CID 55051592

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-cyclopropyl-3-(3-ethylmorpholin-4-yl)propanoic acid?
The IUPAC name of 2-amino-2-cyclopropyl-3-(3-ethylmorpholin-4-yl)propanoic acid (CID 63909942) is 2-amino-2-cyclopropyl-3-(3-ethylmorpholin-4-yl)propanoic acid.
What is the SMILES notation for 2-amino-2-cyclopropyl-3-(3-ethylmorpholin-4-yl)propanoic acid?
The canonical SMILES for 2-amino-2-cyclopropyl-3-(3-ethylmorpholin-4-yl)propanoic acid is CCC1COCCN1CC(N)(C(=O)O)C1CC1.
What is the InChIKey of 2-amino-2-cyclopropyl-3-(3-ethylmorpholin-4-yl)propanoic acid?
The InChIKey is JIVXESBEUDZTGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-2-10-7-17-6-5-14(10)8-12(13,11(15)16)9-3-4-9/h9-10H,2-8,13H2,1H3,(H,15,16).
What are the key properties of 2-amino-2-cyclopropyl-3-(3-ethylmorpholin-4-yl)propanoic acid?
2-amino-2-cyclopropyl-3-(3-ethylmorpholin-4-yl)propanoic acid has a molecular weight of 242.32 g/mol, XLogP of 0.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-cyclopropyl-3-(3-ethylmorpholin-4-yl)propanoic acid is sourced from PubChem (CID 63909942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).