1-(carbamoylamino)-N-[(1R,3R)-3-ethoxyspiro[3.5]nonan-1-yl]cyclopropane-1-carboxamide

C16H27N3O3 — CID 124590561

IUPAC1-(carbamoylamino)-N-[(1R,3R)-3-ethoxyspiro[3.5]nonan-1-yl]cyclopropane-1-carboxamide
SMILESCCO[C@@H]1C[C@@H](NC(=O)C2(NC(N)=O)CC2)C12CCCCC2
InChIInChI=1S/C16H27N3O3/c1-2-22-12-10-11(15(12)6-4-3-5-7-15)18-13(20)16(8-9-16)19-14(17)21/h11-12H,2-10H2,1H3,(H,18,20)(H3,17,19,21)/t11-,12-/m1/s1
InChIKeyNXILHKHPAGZSFB-VXGBXAGGSA-N
MW309.41 g/mol
LogP1.43
Rot. Bonds5

About 1-(carbamoylamino)-N-[(1R,3R)-3-ethoxyspiro[3.5]nonan-1-yl]cyclopropane-1-carboxamide

1-(carbamoylamino)-N-[(1R,3R)-3-ethoxyspiro[3.5]nonan-1-yl]cyclopropane-1-carboxamide (PubChem CID 124590561) has the molecular formula C16H27N3O3 and a molecular weight of 309.41 g/mol. Its IUPAC name is 1-(carbamoylamino)-N-[(1R,3R)-3-ethoxyspiro[3.5]nonan-1-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(carbamoylamino)-N-[(1R,3R)-3-ethoxyspiro[3.5]nonan-1-yl]cyclopropane-1-carboxamide
PubChem CID124590561
Molecular FormulaC16H27N3O3
Molecular Weight309.41 g/mol
Exact Mass309.21
IUPAC Name1-(carbamoylamino)-N-[(1R,3R)-3-ethoxyspiro[3.5]nonan-1-yl]cyclopropane-1-carboxamide
SMILESCCO[C@@H]1C[C@@H](NC(=O)C2(NC(N)=O)CC2)C12CCCCC2
InChIInChI=1S/C16H27N3O3/c1-2-22-12-10-11(15(12)6-4-3-5-7-15)18-13(20)16(8-9-16)19-14(17)21/h11-12H,2-10H2,1H3,(H,18,20)(H3,17,19,21)/t11-,12-/m1/s1
InChIKeyNXILHKHPAGZSFB-VXGBXAGGSA-N
XLogP1.43
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-(carbamoylamino)-N-[(1R,3R)-3-ethoxyspiro[3.5]nonan-1-yl]cyclopropane-1-carboxamide with MolForge

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Related Compounds

N-(3-ethoxyspiro[3.5]nonan-1-yl)acetamide
CID 86769478
(2S)-2-amino-N-(3-ethoxyspiro[3.5]nonan-1-yl)propanamide
CID 119335880
3-amino-N-(3-ethoxyspiro[3.4]octan-1-yl)propanamide;hydrochloride
CID 119329855
N-(3-ethoxyspiro[3.4]octan-1-yl)-2-(methylamino)acetamide
CID 119794737
7-amino-N-(3-ethoxyspiro[3.5]nonan-1-yl)heptanamide
CID 119805159
3-amino-N-(3-ethoxyspiro[3.3]heptan-1-yl)propanamide
CID 119334931
2-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]-3-methylbutanamide
CID 106344164
N-(3-ethoxyspiro[3.3]heptan-1-yl)-2-(1-hydroxycyclopentyl)acetamide
CID 111540303
3-[(3-ethoxyspiro[3.5]nonan-1-yl)carbamoylamino]propanoic acid
CID 122005372
(2S)-N-[(1S,3R)-3-ethoxyspiro[3.5]nonan-1-yl]-2-propan-2-ylsulfonylpropanamide
CID 100577324
3-amino-N-(3-ethoxyspiro[3.4]octan-1-yl)cyclopentane-1-carboxamide
CID 119794729
1-(3-ethoxyspiro[3.3]heptan-1-yl)-2-methylguanidine;hydroiodide
CID 111757533

Frequently Asked Questions

What is the IUPAC name of 1-(carbamoylamino)-N-[(1R,3R)-3-ethoxyspiro[3.5]nonan-1-yl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(carbamoylamino)-N-[(1R,3R)-3-ethoxyspiro[3.5]nonan-1-yl]cyclopropane-1-carboxamide (CID 124590561) is 1-(carbamoylamino)-N-[(1R,3R)-3-ethoxyspiro[3.5]nonan-1-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(carbamoylamino)-N-[(1R,3R)-3-ethoxyspiro[3.5]nonan-1-yl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(carbamoylamino)-N-[(1R,3R)-3-ethoxyspiro[3.5]nonan-1-yl]cyclopropane-1-carboxamide is CCO[C@@H]1C[C@@H](NC(=O)C2(NC(N)=O)CC2)C12CCCCC2.
What is the InChIKey of 1-(carbamoylamino)-N-[(1R,3R)-3-ethoxyspiro[3.5]nonan-1-yl]cyclopropane-1-carboxamide?
The InChIKey is NXILHKHPAGZSFB-VXGBXAGGSA-N. The full InChI is InChI=1S/C16H27N3O3/c1-2-22-12-10-11(15(12)6-4-3-5-7-15)18-13(20)16(8-9-16)19-14(17)21/h11-12H,2-10H2,1H3,(H,18,20)(H3,17,19,21)/t11-,12-/m1/s1.
What are the key properties of 1-(carbamoylamino)-N-[(1R,3R)-3-ethoxyspiro[3.5]nonan-1-yl]cyclopropane-1-carboxamide?
1-(carbamoylamino)-N-[(1R,3R)-3-ethoxyspiro[3.5]nonan-1-yl]cyclopropane-1-carboxamide has a molecular weight of 309.41 g/mol, XLogP of 1.43, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(carbamoylamino)-N-[(1R,3R)-3-ethoxyspiro[3.5]nonan-1-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 124590561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).