3-(cyclopropylamino)-N-(3-hydroxy-2,2-dimethylcyclobutyl)propanamide

C12H22N2O2 — CID 114629719

IUPAC3-(cyclopropylamino)-N-(3-hydroxy-2,2-dimethylcyclobutyl)propanamide
SMILESCC1(C)C(O)CC1NC(=O)CCNC1CC1
InChIInChI=1S/C12H22N2O2/c1-12(2)9(7-10(12)15)14-11(16)5-6-13-8-3-4-8/h8-10,13,15H,3-7H2,1-2H3,(H,14,16)
InChIKeyVDIIRBRAFCORHS-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.40
Rot. Bonds5

About 3-(cyclopropylamino)-N-(3-hydroxy-2,2-dimethylcyclobutyl)propanamide

3-(cyclopropylamino)-N-(3-hydroxy-2,2-dimethylcyclobutyl)propanamide (PubChem CID 114629719) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 3-(cyclopropylamino)-N-(3-hydroxy-2,2-dimethylcyclobutyl)propanamide.

Molecular Properties

Compound Name3-(cyclopropylamino)-N-(3-hydroxy-2,2-dimethylcyclobutyl)propanamide
PubChem CID114629719
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name3-(cyclopropylamino)-N-(3-hydroxy-2,2-dimethylcyclobutyl)propanamide
SMILESCC1(C)C(O)CC1NC(=O)CCNC1CC1
InChIInChI=1S/C12H22N2O2/c1-12(2)9(7-10(12)15)14-11(16)5-6-13-8-3-4-8/h8-10,13,15H,3-7H2,1-2H3,(H,14,16)
InChIKeyVDIIRBRAFCORHS-UHFFFAOYSA-N
XLogP0.40
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(ethylamino)-N-(3-hydroxy-2,2-dimethylcyclobutyl)propanamide
CID 114629835
5-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)pentanamide
CID 114629795
4-chloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)butanamide
CID 114629316
N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-methylbutanamide
CID 114631068
3-(cyclobutylamino)-N-cyclopropylpropanamide
CID 62627198
2-(azetidin-3-yl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)acetamide
CID 114629789
2-[2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-2-oxoethoxy]acetic acid
CID 114628859
N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-propan-2-ylsulfanylacetamide
CID 114630472
3-(cyclopropylamino)-2,2-dimethylcyclobutan-1-ol
CID 112633086
3-(cyclopropylamino)-N-[(1R,2R)-2-hydroxycyclohexyl]propanamide
CID 107222070
N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-(oxan-2-yl)acetamide
CID 114631203
N,N-diethyl-3-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]propanamide
CID 112633769

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylamino)-N-(3-hydroxy-2,2-dimethylcyclobutyl)propanamide?
The IUPAC name of 3-(cyclopropylamino)-N-(3-hydroxy-2,2-dimethylcyclobutyl)propanamide (CID 114629719) is 3-(cyclopropylamino)-N-(3-hydroxy-2,2-dimethylcyclobutyl)propanamide.
What is the SMILES notation for 3-(cyclopropylamino)-N-(3-hydroxy-2,2-dimethylcyclobutyl)propanamide?
The canonical SMILES for 3-(cyclopropylamino)-N-(3-hydroxy-2,2-dimethylcyclobutyl)propanamide is CC1(C)C(O)CC1NC(=O)CCNC1CC1.
What is the InChIKey of 3-(cyclopropylamino)-N-(3-hydroxy-2,2-dimethylcyclobutyl)propanamide?
The InChIKey is VDIIRBRAFCORHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-12(2)9(7-10(12)15)14-11(16)5-6-13-8-3-4-8/h8-10,13,15H,3-7H2,1-2H3,(H,14,16).
What are the key properties of 3-(cyclopropylamino)-N-(3-hydroxy-2,2-dimethylcyclobutyl)propanamide?
3-(cyclopropylamino)-N-(3-hydroxy-2,2-dimethylcyclobutyl)propanamide has a molecular weight of 226.32 g/mol, XLogP of 0.40, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylamino)-N-(3-hydroxy-2,2-dimethylcyclobutyl)propanamide is sourced from PubChem (CID 114629719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).