1-[(2R)-1-(tert-butylamino)-3-cyclopropyl-1-oxopropan-2-yl]cyclopropane-1-carboxamide

C14H24N2O2 — CID 59033328

IUPAC1-[(2R)-1-(tert-butylamino)-3-cyclopropyl-1-oxopropan-2-yl]cyclopropane-1-carboxamide
SMILESCC(C)(C)NC(=O)[C@H](CC1CC1)C1(C(N)=O)CC1
InChIInChI=1S/C14H24N2O2/c1-13(2,3)16-11(17)10(8-9-4-5-9)14(6-7-14)12(15)18/h9-10H,4-8H2,1-3H3,(H2,15,18)(H,16,17)/t10-/m0/s1
InChIKeyRMBQQGIYPKOZFE-JTQLQIEISA-N
MW252.36 g/mol
LogP1.58
Rot. Bonds5

About 1-[(2R)-1-(tert-butylamino)-3-cyclopropyl-1-oxopropan-2-yl]cyclopropane-1-carboxamide

1-[(2R)-1-(tert-butylamino)-3-cyclopropyl-1-oxopropan-2-yl]cyclopropane-1-carboxamide (PubChem CID 59033328) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-[(2R)-1-(tert-butylamino)-3-cyclopropyl-1-oxopropan-2-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-[(2R)-1-(tert-butylamino)-3-cyclopropyl-1-oxopropan-2-yl]cyclopropane-1-carboxamide
PubChem CID59033328
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name1-[(2R)-1-(tert-butylamino)-3-cyclopropyl-1-oxopropan-2-yl]cyclopropane-1-carboxamide
SMILESCC(C)(C)NC(=O)[C@H](CC1CC1)C1(C(N)=O)CC1
InChIInChI=1S/C14H24N2O2/c1-13(2,3)16-11(17)10(8-9-4-5-9)14(6-7-14)12(15)18/h9-10H,4-8H2,1-3H3,(H2,15,18)(H,16,17)/t10-/m0/s1
InChIKeyRMBQQGIYPKOZFE-JTQLQIEISA-N
XLogP1.58
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-1-(tert-butylamino)-3-cyclopropyl-1-oxopropan-2-yl]cyclopropane-1-carboxamide?
The IUPAC name of 1-[(2R)-1-(tert-butylamino)-3-cyclopropyl-1-oxopropan-2-yl]cyclopropane-1-carboxamide (CID 59033328) is 1-[(2R)-1-(tert-butylamino)-3-cyclopropyl-1-oxopropan-2-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-[(2R)-1-(tert-butylamino)-3-cyclopropyl-1-oxopropan-2-yl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-[(2R)-1-(tert-butylamino)-3-cyclopropyl-1-oxopropan-2-yl]cyclopropane-1-carboxamide is CC(C)(C)NC(=O)[C@H](CC1CC1)C1(C(N)=O)CC1.
What is the InChIKey of 1-[(2R)-1-(tert-butylamino)-3-cyclopropyl-1-oxopropan-2-yl]cyclopropane-1-carboxamide?
The InChIKey is RMBQQGIYPKOZFE-JTQLQIEISA-N. The full InChI is InChI=1S/C14H24N2O2/c1-13(2,3)16-11(17)10(8-9-4-5-9)14(6-7-14)12(15)18/h9-10H,4-8H2,1-3H3,(H2,15,18)(H,16,17)/t10-/m0/s1.
What are the key properties of 1-[(2R)-1-(tert-butylamino)-3-cyclopropyl-1-oxopropan-2-yl]cyclopropane-1-carboxamide?
1-[(2R)-1-(tert-butylamino)-3-cyclopropyl-1-oxopropan-2-yl]cyclopropane-1-carboxamide has a molecular weight of 252.36 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-1-(tert-butylamino)-3-cyclopropyl-1-oxopropan-2-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 59033328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).