2-amino-2-cyclopropyl-3-[methyl(oxan-4-yl)amino]propanamide

C12H23N3O2 — CID 63909546

IUPAC2-amino-2-cyclopropyl-3-[methyl(oxan-4-yl)amino]propanamide
SMILESCN(CC(N)(C(N)=O)C1CC1)C1CCOCC1
InChIInChI=1S/C12H23N3O2/c1-15(10-4-6-17-7-5-10)8-12(14,11(13)16)9-2-3-9/h9-10H,2-8,14H2,1H3,(H2,13,16)
InChIKeyCICTVPLJERLMKM-UHFFFAOYSA-N
MW241.33 g/mol
LogP-0.31
Rot. Bonds5

About 2-amino-2-cyclopropyl-3-[methyl(oxan-4-yl)amino]propanamide

2-amino-2-cyclopropyl-3-[methyl(oxan-4-yl)amino]propanamide (PubChem CID 63909546) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 2-amino-2-cyclopropyl-3-[methyl(oxan-4-yl)amino]propanamide.

Molecular Properties

Compound Name2-amino-2-cyclopropyl-3-[methyl(oxan-4-yl)amino]propanamide
PubChem CID63909546
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name2-amino-2-cyclopropyl-3-[methyl(oxan-4-yl)amino]propanamide
SMILESCN(CC(N)(C(N)=O)C1CC1)C1CCOCC1
InChIInChI=1S/C12H23N3O2/c1-15(10-4-6-17-7-5-10)8-12(14,11(13)16)9-2-3-9/h9-10H,2-8,14H2,1H3,(H2,13,16)
InChIKeyCICTVPLJERLMKM-UHFFFAOYSA-N
XLogP-0.31
TPSA81.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-[cyclopentyl(methyl)amino]-2-cyclopropylpropanamide
CID 63910103
2-amino-2-cyclopropyl-3-[methyl-(4-methylcyclohexyl)amino]propanamide
CID 63917319
2-amino-2-cyclopropyl-3-[methyl(propyl)amino]propanamide
CID 63906412
2-methyl-2-[[methyl(oxan-4-yl)amino]methyl]butanoic acid
CID 62271389
3,3-dimethyl-4-[methyl(oxan-4-yl)amino]butanoic acid
CID 115220305
2,2-diethyl-N'-methyl-N'-(oxan-4-yl)propane-1,3-diamine
CID 62258589
2-amino-2-cyclopropyl-N-methyl-N-(oxan-4-yl)propanamide
CID 60867705
2-amino-2-cyclopropyl-3-[ethyl(propyl)amino]propanamide
CID 63910109
2-amino-2-cyclopropyl-3-[3-methoxypropyl(methyl)amino]propanamide
CID 63925804
2-amino-2-cyclopropyl-3-[2-ethoxyethyl(methyl)amino]propanamide
CID 81062105
2-amino-2-cyclopropyl-3-(N-ethyl-4-methylanilino)propanamide
CID 63919444
2-amino-2-cyclopropyl-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanamide
CID 63909560

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-cyclopropyl-3-[methyl(oxan-4-yl)amino]propanamide?
The IUPAC name of 2-amino-2-cyclopropyl-3-[methyl(oxan-4-yl)amino]propanamide (CID 63909546) is 2-amino-2-cyclopropyl-3-[methyl(oxan-4-yl)amino]propanamide.
What is the SMILES notation for 2-amino-2-cyclopropyl-3-[methyl(oxan-4-yl)amino]propanamide?
The canonical SMILES for 2-amino-2-cyclopropyl-3-[methyl(oxan-4-yl)amino]propanamide is CN(CC(N)(C(N)=O)C1CC1)C1CCOCC1.
What is the InChIKey of 2-amino-2-cyclopropyl-3-[methyl(oxan-4-yl)amino]propanamide?
The InChIKey is CICTVPLJERLMKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-15(10-4-6-17-7-5-10)8-12(14,11(13)16)9-2-3-9/h9-10H,2-8,14H2,1H3,(H2,13,16).
What are the key properties of 2-amino-2-cyclopropyl-3-[methyl(oxan-4-yl)amino]propanamide?
2-amino-2-cyclopropyl-3-[methyl(oxan-4-yl)amino]propanamide has a molecular weight of 241.33 g/mol, XLogP of -0.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-cyclopropyl-3-[methyl(oxan-4-yl)amino]propanamide is sourced from PubChem (CID 63909546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).