(3aR,6aS)-5-amino-N,N-dimethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide

C10H19N3O — CID 59151507

IUPAC(3aR,6aS)-5-amino-N,N-dimethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
SMILESCN(C)C(=O)N1C[C@H]2CC(N)C[C@H]2C1
InChIInChI=1S/C10H19N3O/c1-12(2)10(14)13-5-7-3-9(11)4-8(7)6-13/h7-9H,3-6,11H2,1-2H3/t7-,8+,9?
InChIKeyHBWSBOUOAVSFHG-JVHMLUBASA-N
MW197.28 g/mol
LogP0.34
Rot. Bonds

About (3aR,6aS)-5-amino-N,N-dimethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide

(3aR,6aS)-5-amino-N,N-dimethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide (PubChem CID 59151507) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is (3aR,6aS)-5-amino-N,N-dimethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide.

Molecular Properties

Compound Name(3aR,6aS)-5-amino-N,N-dimethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
PubChem CID59151507
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name(3aR,6aS)-5-amino-N,N-dimethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
SMILESCN(C)C(=O)N1C[C@H]2CC(N)C[C@H]2C1
InChIInChI=1S/C10H19N3O/c1-12(2)10(14)13-5-7-3-9(11)4-8(7)6-13/h7-9H,3-6,11H2,1-2H3/t7-,8+,9?
InChIKeyHBWSBOUOAVSFHG-JVHMLUBASA-N
XLogP0.34
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-3,3-dimethyl-2,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrole-1-carboxamide
CID 128529431
N'-(3a-fluoro-2-propan-2-yl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl)-N-methylmethanediamine
CID 139315574
(3aR,6aR)-N-(4,4-dimethylpentan-2-yl)-3a-(trifluoromethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide
CID 154876650
N-((3AR,5s,6aS)-octahydrocyclopenta[c]pyrrol-5-yl)acetamide
CID 55296255
(3aR,6aS)-5-[2-[(2R)-2-isocyanopyrrolidin-1-yl]ethylamino]-N,N-dimethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
CID 59151509
(3aS,6aR)-5-amino-5-ethyl-N,N-dimethyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide
CID 59614273
(3aS,6aR)-5-amino-N,N,5-trimethyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide
CID 59614275
(3aS,6aR)-5-amino-5-cyclopentyl-N,N-dimethyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide
CID 59614289
(3aR,6aS)-5-isocyano-N,N,5-trimethyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide
CID 59614297
(3aR,6aS)-5-amino-5-(cyclohexylmethyl)-N,N-dimethyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide
CID 59614301
N-[(3aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]acetamide
CID 68215308
5-Amino-5-cyclopentyl-hexahydro-cyclopenta[c]pyrrole-2-carboxylic acid dimethylamide
CID 68626787

Frequently Asked Questions

What is the IUPAC name of (3aR,6aS)-5-amino-N,N-dimethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide?
The IUPAC name of (3aR,6aS)-5-amino-N,N-dimethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide (CID 59151507) is (3aR,6aS)-5-amino-N,N-dimethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide.
What is the SMILES notation for (3aR,6aS)-5-amino-N,N-dimethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide?
The canonical SMILES for (3aR,6aS)-5-amino-N,N-dimethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide is CN(C)C(=O)N1C[C@H]2CC(N)C[C@H]2C1.
What is the InChIKey of (3aR,6aS)-5-amino-N,N-dimethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide?
The InChIKey is HBWSBOUOAVSFHG-JVHMLUBASA-N. The full InChI is InChI=1S/C10H19N3O/c1-12(2)10(14)13-5-7-3-9(11)4-8(7)6-13/h7-9H,3-6,11H2,1-2H3/t7-,8+,9?.
What are the key properties of (3aR,6aS)-5-amino-N,N-dimethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide?
(3aR,6aS)-5-amino-N,N-dimethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide has a molecular weight of 197.28 g/mol, XLogP of 0.34, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aS)-5-amino-N,N-dimethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide is sourced from PubChem (CID 59151507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).