1-[[3-(cyclopropylcarbamoyl)morpholine-4-carbonyl]amino]cyclopropane-1-carboxylic acid

C13H19N3O5 — CID 83104570

IUPAC1-[[3-(cyclopropylcarbamoyl)morpholine-4-carbonyl]amino]cyclopropane-1-carboxylic acid
SMILESO=C(NC1CC1)C1COCCN1C(=O)NC1(C(=O)O)CC1
InChIInChI=1S/C13H19N3O5/c17-10(14-8-1-2-8)9-7-21-6-5-16(9)12(20)15-13(3-4-13)11(18)19/h8-9H,1-7H2,(H,14,17)(H,15,20)(H,18,19)
InChIKeyBAPCSMTUEPRGKI-UHFFFAOYSA-N
MW297.31 g/mol
LogP-0.71
Rot. Bonds4

About 1-[[3-(cyclopropylcarbamoyl)morpholine-4-carbonyl]amino]cyclopropane-1-carboxylic acid

1-[[3-(cyclopropylcarbamoyl)morpholine-4-carbonyl]amino]cyclopropane-1-carboxylic acid (PubChem CID 83104570) has the molecular formula C13H19N3O5 and a molecular weight of 297.31 g/mol. Its IUPAC name is 1-[[3-(cyclopropylcarbamoyl)morpholine-4-carbonyl]amino]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[3-(cyclopropylcarbamoyl)morpholine-4-carbonyl]amino]cyclopropane-1-carboxylic acid
PubChem CID83104570
Molecular FormulaC13H19N3O5
Molecular Weight297.31 g/mol
Exact Mass297.13
IUPAC Name1-[[3-(cyclopropylcarbamoyl)morpholine-4-carbonyl]amino]cyclopropane-1-carboxylic acid
SMILESO=C(NC1CC1)C1COCCN1C(=O)NC1(C(=O)O)CC1
InChIInChI=1S/C13H19N3O5/c17-10(14-8-1-2-8)9-7-21-6-5-16(9)12(20)15-13(3-4-13)11(18)19/h8-9H,1-7H2,(H,14,17)(H,15,20)(H,18,19)
InChIKeyBAPCSMTUEPRGKI-UHFFFAOYSA-N
XLogP-0.71
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 5-0.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-N-cyclopropyl-4-N-methylmorpholine-3,4-dicarboxamide
CID 116657472
4-(1-aminocyclopentanecarbonyl)-N-cyclopropylmorpholine-3-carboxamide
CID 83098030
N-cyclopropyl-4-(2,2-dimethylpropanoyl)morpholine-3-carboxamide
CID 83104501
N-cyclopropyl-4-(2-sulfanylacetyl)morpholine-3-carboxamide
CID 83105257
4-N-(2-chloropropanoyl)-3-N-cyclopropylmorpholine-3,4-dicarboxamide
CID 83103615
N-cyclopropyl-4-(2-hydrazinyl-2-oxoacetyl)morpholine-3-carboxamide
CID 83103627
1-[(3-methylmorpholine-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 61209789
N-cyclopropyl-4-[2-(methylamino)propanoyl]morpholine-3-carboxamide
CID 83097661
4-(2-bromo-3-methylbutanoyl)-N-cyclopropylmorpholine-3-carboxamide
CID 83106807
4-(4-chlorobutanoyl)-N-cyclopropylmorpholine-3-carboxamide
CID 83106386
5-[3-(cyclopropylcarbamoyl)morpholin-4-yl]-3-methyl-5-oxopentanoic acid
CID 83098608
N-cyclopropyl-4-(2-piperidin-2-ylacetyl)morpholine-3-carboxamide
CID 83102457

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(cyclopropylcarbamoyl)morpholine-4-carbonyl]amino]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[[3-(cyclopropylcarbamoyl)morpholine-4-carbonyl]amino]cyclopropane-1-carboxylic acid (CID 83104570) is 1-[[3-(cyclopropylcarbamoyl)morpholine-4-carbonyl]amino]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[[3-(cyclopropylcarbamoyl)morpholine-4-carbonyl]amino]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[[3-(cyclopropylcarbamoyl)morpholine-4-carbonyl]amino]cyclopropane-1-carboxylic acid is O=C(NC1CC1)C1COCCN1C(=O)NC1(C(=O)O)CC1.
What is the InChIKey of 1-[[3-(cyclopropylcarbamoyl)morpholine-4-carbonyl]amino]cyclopropane-1-carboxylic acid?
The InChIKey is BAPCSMTUEPRGKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O5/c17-10(14-8-1-2-8)9-7-21-6-5-16(9)12(20)15-13(3-4-13)11(18)19/h8-9H,1-7H2,(H,14,17)(H,15,20)(H,18,19).
What are the key properties of 1-[[3-(cyclopropylcarbamoyl)morpholine-4-carbonyl]amino]cyclopropane-1-carboxylic acid?
1-[[3-(cyclopropylcarbamoyl)morpholine-4-carbonyl]amino]cyclopropane-1-carboxylic acid has a molecular weight of 297.31 g/mol, XLogP of -0.71, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(cyclopropylcarbamoyl)morpholine-4-carbonyl]amino]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 83104570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).