(2R)-2-amino-N-[(2S)-6-azaspiro[2.5]octan-2-yl]-N-[(1-methylimidazol-2-yl)methyl]pentanamide

C17H29N5O — CID 129350140

IUPAC(2R)-2-amino-N-[(2S)-6-azaspiro[2.5]octan-2-yl]-N-[(1-methylimidazol-2-yl)methyl]pentanamide
SMILESCCC[C@@H](N)C(=O)N(Cc1nccn1C)[C@H]1CC12CCNCC2
InChIInChI=1S/C17H29N5O/c1-3-4-13(18)16(23)22(12-15-20-9-10-21(15)2)14-11-17(14)5-7-19-8-6-17/h9-10,13-14,19H,3-8,11-12,18H2,1-2H3/t13-,14+/m1/s1
InChIKeyCOHRCQYKKYJHKU-KGLIPLIRSA-N
MW319.45 g/mol
LogP1.02
Rot. Bonds6

About (2R)-2-amino-N-[(2S)-6-azaspiro[2.5]octan-2-yl]-N-[(1-methylimidazol-2-yl)methyl]pentanamide

(2R)-2-amino-N-[(2S)-6-azaspiro[2.5]octan-2-yl]-N-[(1-methylimidazol-2-yl)methyl]pentanamide (PubChem CID 129350140) has the molecular formula C17H29N5O and a molecular weight of 319.45 g/mol. Its IUPAC name is (2R)-2-amino-N-[(2S)-6-azaspiro[2.5]octan-2-yl]-N-[(1-methylimidazol-2-yl)methyl]pentanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[(2S)-6-azaspiro[2.5]octan-2-yl]-N-[(1-methylimidazol-2-yl)methyl]pentanamide
PubChem CID129350140
Molecular FormulaC17H29N5O
Molecular Weight319.45 g/mol
Exact Mass319.24
IUPAC Name(2R)-2-amino-N-[(2S)-6-azaspiro[2.5]octan-2-yl]-N-[(1-methylimidazol-2-yl)methyl]pentanamide
SMILESCCC[C@@H](N)C(=O)N(Cc1nccn1C)[C@H]1CC12CCNCC2
InChIInChI=1S/C17H29N5O/c1-3-4-13(18)16(23)22(12-15-20-9-10-21(15)2)14-11-17(14)5-7-19-8-6-17/h9-10,13-14,19H,3-8,11-12,18H2,1-2H3/t13-,14+/m1/s1
InChIKeyCOHRCQYKKYJHKU-KGLIPLIRSA-N
XLogP1.02
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-[(2S)-6-azaspiro[2.5]octan-2-yl]-2-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-methylsulfanylpropanamide
CID 129466658
N-[(2R)-6-azaspiro[2.5]octan-2-yl]-2-cyclobutyl-N-[(1-methylimidazol-2-yl)methyl]acetamide
CID 129466296
N-(6-azaspiro[2.5]octan-2-yl)-N-[(1-methylimidazol-2-yl)methyl]-1H-pyrrole-3-carboxamide
CID 167951472
N-[(2S)-6-azaspiro[2.5]octan-2-yl]-5-chloro-N-[(1-methylimidazol-2-yl)methyl]thiophene-2-carboxamide
CID 129475917
N-[(2R)-6-azaspiro[2.5]octan-2-yl]-3-methyl-N-[(1-methylimidazol-2-yl)methyl]-1,2-oxazole-5-carboxamide
CID 129466442
N-(6-azaspiro[2.5]octan-2-yl)-3-fluoro-N-[(1-methylimidazol-2-yl)methyl]pyridine-4-carboxamide
CID 154814695
(2S)-N-[(1-methylimidazol-2-yl)methyl]-N-(2,2,2-trifluoroethyl)-6-azaspiro[2.5]octan-2-amine
CID 129352549
N-(6-azaspiro[2.5]octan-2-yl)-4-chloro-N-[(1-ethylimidazol-2-yl)methyl]-1-methylpyrrole-2-carboxamide;hydrochloride
CID 128992326
N-[2-[6-azaspiro[2.5]octan-2-yl-[(1-methylimidazol-2-yl)methyl]amino]ethyl]ethanesulfonamide;hydrochloride
CID 154753859
2-amino-N-cyclopropyl-4-methyl-N-[(1-methylimidazol-2-yl)methyl]pentanamide
CID 54871592
(2R)-N-[(2,3-dimethylphenyl)methyl]-N-[(1-methylimidazol-2-yl)methyl]-6-azaspiro[2.5]octan-2-amine
CID 129476402
N-[(1-methylimidazol-2-yl)methyl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-azaspiro[2.5]octan-2-amine;hydrochloride
CID 154793432

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[(2S)-6-azaspiro[2.5]octan-2-yl]-N-[(1-methylimidazol-2-yl)methyl]pentanamide?
The IUPAC name of (2R)-2-amino-N-[(2S)-6-azaspiro[2.5]octan-2-yl]-N-[(1-methylimidazol-2-yl)methyl]pentanamide (CID 129350140) is (2R)-2-amino-N-[(2S)-6-azaspiro[2.5]octan-2-yl]-N-[(1-methylimidazol-2-yl)methyl]pentanamide.
What is the SMILES notation for (2R)-2-amino-N-[(2S)-6-azaspiro[2.5]octan-2-yl]-N-[(1-methylimidazol-2-yl)methyl]pentanamide?
The canonical SMILES for (2R)-2-amino-N-[(2S)-6-azaspiro[2.5]octan-2-yl]-N-[(1-methylimidazol-2-yl)methyl]pentanamide is CCC[C@@H](N)C(=O)N(Cc1nccn1C)[C@H]1CC12CCNCC2.
What is the InChIKey of (2R)-2-amino-N-[(2S)-6-azaspiro[2.5]octan-2-yl]-N-[(1-methylimidazol-2-yl)methyl]pentanamide?
The InChIKey is COHRCQYKKYJHKU-KGLIPLIRSA-N. The full InChI is InChI=1S/C17H29N5O/c1-3-4-13(18)16(23)22(12-15-20-9-10-21(15)2)14-11-17(14)5-7-19-8-6-17/h9-10,13-14,19H,3-8,11-12,18H2,1-2H3/t13-,14+/m1/s1.
What are the key properties of (2R)-2-amino-N-[(2S)-6-azaspiro[2.5]octan-2-yl]-N-[(1-methylimidazol-2-yl)methyl]pentanamide?
(2R)-2-amino-N-[(2S)-6-azaspiro[2.5]octan-2-yl]-N-[(1-methylimidazol-2-yl)methyl]pentanamide has a molecular weight of 319.45 g/mol, XLogP of 1.02, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[(2S)-6-azaspiro[2.5]octan-2-yl]-N-[(1-methylimidazol-2-yl)methyl]pentanamide is sourced from PubChem (CID 129350140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).