N-[1-amino-2-(2-oxopiperidin-3-yl)ethyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide

C15H26N4O2 — CID 167481479

IUPACN-[1-amino-2-(2-oxopiperidin-3-yl)ethyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
SMILESCC1(C)C2CNC(C(=O)NC(N)CC3CCCNC3=O)C21
InChIInChI=1S/C15H26N4O2/c1-15(2)9-7-18-12(11(9)15)14(21)19-10(16)6-8-4-3-5-17-13(8)20/h8-12,18H,3-7,16H2,1-2H3,(H,17,20)(H,19,21)
InChIKeyBYRLXKDMQAKCMA-UHFFFAOYSA-N
MW294.40 g/mol
LogP-0.45
Rot. Bonds4

About N-[1-amino-2-(2-oxopiperidin-3-yl)ethyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide

N-[1-amino-2-(2-oxopiperidin-3-yl)ethyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide (PubChem CID 167481479) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is N-[1-amino-2-(2-oxopiperidin-3-yl)ethyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide.

Molecular Properties

Compound NameN-[1-amino-2-(2-oxopiperidin-3-yl)ethyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
PubChem CID167481479
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC NameN-[1-amino-2-(2-oxopiperidin-3-yl)ethyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
SMILESCC1(C)C2CNC(C(=O)NC(N)CC3CCCNC3=O)C21
InChIInChI=1S/C15H26N4O2/c1-15(2)9-7-18-12(11(9)15)14(21)19-10(16)6-8-4-3-5-17-13(8)20/h8-12,18H,3-7,16H2,1-2H3,(H,17,20)(H,19,21)
InChIKeyBYRLXKDMQAKCMA-UHFFFAOYSA-N
XLogP-0.45
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 5-0.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N-[1-amino-2-(2-oxopiperidin-3-yl)ethyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide with MolForge

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Related Compounds

2-amino-3-(2-oxopiperidin-3-yl)propanoic acid
CID 22247801
(2S)-2-[[2-amino-3-(2,2-dimethylcyclopropyl)propanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanamide
CID 166893555
ethyl 2-amino-3-(2-oxopiperidin-3-yl)propanoate;hydrochloride
CID 169257069
(3S)-3-(2-amino-2-hydroxyethyl)azepan-2-one
CID 68951784
(2S)-2-[[(2S)-2-amino-4,4-dimethylpentanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoic acid
CID 166744926
2-[(2-amino-4,4-dimethylpentanoyl)amino]-3-(2-oxopiperidin-3-yl)propanoic acid
CID 175458213
(2S)-2-amino-N-[(2S)-1-hydroxy-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]-4-methylpentanamide
CID 155375812
(2S)-2-[[2-hydrazinyl-3-(1-methylcyclopropyl)propanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanamide
CID 170017491
2-amino-N-[(2S)-1-oxo-3-(2-oxopiperidin-3-yl)propan-2-yl]acetamide;prop-1-ene
CID 155736218
(1R,2S,5S)-3-(2-aminopropanoyl)-N-[1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
CID 170164555
N-[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 175890945
tert-butyl (1R,2S,5S)-2-[[(2S)-4-(cyclopropylamino)-3-hydroxy-4-oxo-1-[(3S)-2-oxopiperidin-3-yl]butan-2-yl]carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 162695388

Frequently Asked Questions

What is the IUPAC name of N-[1-amino-2-(2-oxopiperidin-3-yl)ethyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide?
The IUPAC name of N-[1-amino-2-(2-oxopiperidin-3-yl)ethyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide (CID 167481479) is N-[1-amino-2-(2-oxopiperidin-3-yl)ethyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide.
What is the SMILES notation for N-[1-amino-2-(2-oxopiperidin-3-yl)ethyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide?
The canonical SMILES for N-[1-amino-2-(2-oxopiperidin-3-yl)ethyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide is CC1(C)C2CNC(C(=O)NC(N)CC3CCCNC3=O)C21.
What is the InChIKey of N-[1-amino-2-(2-oxopiperidin-3-yl)ethyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide?
The InChIKey is BYRLXKDMQAKCMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-15(2)9-7-18-12(11(9)15)14(21)19-10(16)6-8-4-3-5-17-13(8)20/h8-12,18H,3-7,16H2,1-2H3,(H,17,20)(H,19,21).
What are the key properties of N-[1-amino-2-(2-oxopiperidin-3-yl)ethyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide?
N-[1-amino-2-(2-oxopiperidin-3-yl)ethyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide has a molecular weight of 294.40 g/mol, XLogP of -0.45, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-amino-2-(2-oxopiperidin-3-yl)ethyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide is sourced from PubChem (CID 167481479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).