1-[2-[(9-aminobicyclo[3.3.1]nonane-3-carbonyl)amino]acetyl]-N-methylpyrrolidine-2-carboxamide

C18H30N4O3 — CID 120988990

IUPAC1-[2-[(9-aminobicyclo[3.3.1]nonane-3-carbonyl)amino]acetyl]-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)C1CCCN1C(=O)CNC(=O)C1CC2CCCC(C1)C2N
InChIInChI=1S/C18H30N4O3/c1-20-18(25)14-6-3-7-22(14)15(23)10-21-17(24)13-8-11-4-2-5-12(9-13)16(11)19/h11-14,16H,2-10,19H2,1H3,(H,20,25)(H,21,24)
InChIKeyNROUSIKFERVSCD-UHFFFAOYSA-N
MW350.46 g/mol
LogP-0.01
Rot. Bonds4

About 1-[2-[(9-aminobicyclo[3.3.1]nonane-3-carbonyl)amino]acetyl]-N-methylpyrrolidine-2-carboxamide

1-[2-[(9-aminobicyclo[3.3.1]nonane-3-carbonyl)amino]acetyl]-N-methylpyrrolidine-2-carboxamide (PubChem CID 120988990) has the molecular formula C18H30N4O3 and a molecular weight of 350.46 g/mol. Its IUPAC name is 1-[2-[(9-aminobicyclo[3.3.1]nonane-3-carbonyl)amino]acetyl]-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[2-[(9-aminobicyclo[3.3.1]nonane-3-carbonyl)amino]acetyl]-N-methylpyrrolidine-2-carboxamide
PubChem CID120988990
Molecular FormulaC18H30N4O3
Molecular Weight350.46 g/mol
Exact Mass350.23
IUPAC Name1-[2-[(9-aminobicyclo[3.3.1]nonane-3-carbonyl)amino]acetyl]-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)C1CCCN1C(=O)CNC(=O)C1CC2CCCC(C1)C2N
InChIInChI=1S/C18H30N4O3/c1-20-18(25)14-6-3-7-22(14)15(23)10-21-17(24)13-8-11-4-2-5-12(9-13)16(11)19/h11-14,16H,2-10,19H2,1H3,(H,20,25)(H,21,24)
InChIKeyNROUSIKFERVSCD-UHFFFAOYSA-N
XLogP-0.01
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 5-0.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[2-[(9-aminobicyclo[3.3.1]nonane-3-carbonyl)amino]acetyl]-N-methylpyrrolidine-2-carboxamide with MolForge

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Related Compounds

(2S)-1-(2-acetamidoacetyl)-N-methylpyrrolidine-2-carboxamide
CID 71346691
3-[2-(methylcarbamoyl)pyrrolidin-1-yl]-3-oxopropanoic acid
CID 62229916
1-[2-(cyclopentylamino)acetyl]-N-methylpyrrolidine-2-carboxamide
CID 60952576
1-[2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]acetyl]-N-methylpyrrolidine-2-carboxamide
CID 119042843
1-(benzenesulfonyl)-N-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]piperidine-3-carboxamide
CID 56544322
(2S)-1-[2-[[(2S)-1-acetylpyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carboxylic acid
CID 46182782
1-[2-(tert-butylamino)acetyl]-N-methylpiperidine-2-carboxamide
CID 78986673
9-amino-N-(2-chloroprop-2-enyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120990322
(2S)-1-[3-(cyclopentanecarbonylamino)propanoyl]-N-methylpiperidine-2-carboxamide
CID 32599029
1-butanoyl-N-methylpyrrolidine-2-carboxamide
CID 61060939
9-amino-N-(2,2,2-trifluoroethyl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120985035
N-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 56533945

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(9-aminobicyclo[3.3.1]nonane-3-carbonyl)amino]acetyl]-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of 1-[2-[(9-aminobicyclo[3.3.1]nonane-3-carbonyl)amino]acetyl]-N-methylpyrrolidine-2-carboxamide (CID 120988990) is 1-[2-[(9-aminobicyclo[3.3.1]nonane-3-carbonyl)amino]acetyl]-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[2-[(9-aminobicyclo[3.3.1]nonane-3-carbonyl)amino]acetyl]-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-[2-[(9-aminobicyclo[3.3.1]nonane-3-carbonyl)amino]acetyl]-N-methylpyrrolidine-2-carboxamide is CNC(=O)C1CCCN1C(=O)CNC(=O)C1CC2CCCC(C1)C2N.
What is the InChIKey of 1-[2-[(9-aminobicyclo[3.3.1]nonane-3-carbonyl)amino]acetyl]-N-methylpyrrolidine-2-carboxamide?
The InChIKey is NROUSIKFERVSCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O3/c1-20-18(25)14-6-3-7-22(14)15(23)10-21-17(24)13-8-11-4-2-5-12(9-13)16(11)19/h11-14,16H,2-10,19H2,1H3,(H,20,25)(H,21,24).
What are the key properties of 1-[2-[(9-aminobicyclo[3.3.1]nonane-3-carbonyl)amino]acetyl]-N-methylpyrrolidine-2-carboxamide?
1-[2-[(9-aminobicyclo[3.3.1]nonane-3-carbonyl)amino]acetyl]-N-methylpyrrolidine-2-carboxamide has a molecular weight of 350.46 g/mol, XLogP of -0.01, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(9-aminobicyclo[3.3.1]nonane-3-carbonyl)amino]acetyl]-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 120988990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).