1-[(3-morpholin-4-yl-3-oxopropyl)carbamoyl]cyclopropane-1-carboxylic acid

C12H18N2O5 — CID 113355806

IUPAC1-[(3-morpholin-4-yl-3-oxopropyl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESO=C(CCNC(=O)C1(C(=O)O)CC1)N1CCOCC1
InChIInChI=1S/C12H18N2O5/c15-9(14-5-7-19-8-6-14)1-4-13-10(16)12(2-3-12)11(17)18/h1-8H2,(H,13,16)(H,17,18)
InChIKeyYWNKJQPJBRXAPF-UHFFFAOYSA-N
MW270.28 g/mol
LogP-0.78
Rot. Bonds5

About 1-[(3-morpholin-4-yl-3-oxopropyl)carbamoyl]cyclopropane-1-carboxylic acid

1-[(3-morpholin-4-yl-3-oxopropyl)carbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 113355806) has the molecular formula C12H18N2O5 and a molecular weight of 270.28 g/mol. Its IUPAC name is 1-[(3-morpholin-4-yl-3-oxopropyl)carbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(3-morpholin-4-yl-3-oxopropyl)carbamoyl]cyclopropane-1-carboxylic acid
PubChem CID113355806
Molecular FormulaC12H18N2O5
Molecular Weight270.28 g/mol
Exact Mass270.12
IUPAC Name1-[(3-morpholin-4-yl-3-oxopropyl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESO=C(CCNC(=O)C1(C(=O)O)CC1)N1CCOCC1
InChIInChI=1S/C12H18N2O5/c15-9(14-5-7-19-8-6-14)1-4-13-10(16)12(2-3-12)11(17)18/h1-8H2,(H,13,16)(H,17,18)
InChIKeyYWNKJQPJBRXAPF-UHFFFAOYSA-N
XLogP-0.78
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 5-0.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-[(3-oxo-3-piperidin-1-ylpropyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 112622922
1-(2-morpholin-4-ylethylcarbamoyl)cyclopropane-1-carboxylic acid
CID 62095713
3-methyl-N-(3-morpholin-4-yl-3-oxopropyl)pyrrolidine-3-carboxamide
CID 115738095
2-methyl-N-(3-morpholin-4-yl-3-oxopropyl)pyrrolidine-2-carboxamide
CID 115747499
4-(methylamino)-N-(3-morpholin-4-yl-3-oxopropyl)butanamide
CID 113266090
1-[[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 120549290
1-morpholin-4-yl-3-(propan-2-ylamino)propan-1-one
CID 60853589
4-cyano-N-(3-oxo-3-pyrrolidin-1-ylpropyl)oxane-4-carboxamide
CID 115619309
1-morpholin-4-yl-3-(pentan-3-ylamino)propan-1-one
CID 115609879
N-(3-morpholin-4-yl-3-oxopropyl)-2-phenylacetamide
CID 29418767
1-morpholin-4-yl-3-(spiro[4.5]decan-8-ylamino)propan-1-one
CID 114817889
1-ethyl-1-methyl-3-(3-morpholin-4-yl-3-oxopropyl)urea
CID 113229862

Frequently Asked Questions

What is the IUPAC name of 1-[(3-morpholin-4-yl-3-oxopropyl)carbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[(3-morpholin-4-yl-3-oxopropyl)carbamoyl]cyclopropane-1-carboxylic acid (CID 113355806) is 1-[(3-morpholin-4-yl-3-oxopropyl)carbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[(3-morpholin-4-yl-3-oxopropyl)carbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[(3-morpholin-4-yl-3-oxopropyl)carbamoyl]cyclopropane-1-carboxylic acid is O=C(CCNC(=O)C1(C(=O)O)CC1)N1CCOCC1.
What is the InChIKey of 1-[(3-morpholin-4-yl-3-oxopropyl)carbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is YWNKJQPJBRXAPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O5/c15-9(14-5-7-19-8-6-14)1-4-13-10(16)12(2-3-12)11(17)18/h1-8H2,(H,13,16)(H,17,18).
What are the key properties of 1-[(3-morpholin-4-yl-3-oxopropyl)carbamoyl]cyclopropane-1-carboxylic acid?
1-[(3-morpholin-4-yl-3-oxopropyl)carbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 270.28 g/mol, XLogP of -0.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-morpholin-4-yl-3-oxopropyl)carbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 113355806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).