1-amino-N-(1-hydroxy-2-methylbutan-2-yl)cyclopropane-1-carboxamide

C9H18N2O2 — CID 65457260

IUPAC1-amino-N-(1-hydroxy-2-methylbutan-2-yl)cyclopropane-1-carboxamide
SMILESCCC(C)(CO)NC(=O)C1(N)CC1
InChIInChI=1S/C9H18N2O2/c1-3-8(2,6-12)11-7(13)9(10)4-5-9/h12H,3-6,10H2,1-2H3,(H,11,13)
InChIKeyQSMSBHMJPROJHI-UHFFFAOYSA-N
MW186.25 g/mol
LogP-0.25
Rot. Bonds4

About 1-amino-N-(1-hydroxy-2-methylbutan-2-yl)cyclopropane-1-carboxamide

1-amino-N-(1-hydroxy-2-methylbutan-2-yl)cyclopropane-1-carboxamide (PubChem CID 65457260) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 1-amino-N-(1-hydroxy-2-methylbutan-2-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-(1-hydroxy-2-methylbutan-2-yl)cyclopropane-1-carboxamide
PubChem CID65457260
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name1-amino-N-(1-hydroxy-2-methylbutan-2-yl)cyclopropane-1-carboxamide
SMILESCCC(C)(CO)NC(=O)C1(N)CC1
InChIInChI=1S/C9H18N2O2/c1-3-8(2,6-12)11-7(13)9(10)4-5-9/h12H,3-6,10H2,1-2H3,(H,11,13)
InChIKeyQSMSBHMJPROJHI-UHFFFAOYSA-N
XLogP-0.25
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 5-0.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(1-hydroxy-2-methylbutan-2-yl)cyclopropane-1-carboxamide?
The IUPAC name of 1-amino-N-(1-hydroxy-2-methylbutan-2-yl)cyclopropane-1-carboxamide (CID 65457260) is 1-amino-N-(1-hydroxy-2-methylbutan-2-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-amino-N-(1-hydroxy-2-methylbutan-2-yl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-amino-N-(1-hydroxy-2-methylbutan-2-yl)cyclopropane-1-carboxamide is CCC(C)(CO)NC(=O)C1(N)CC1.
What is the InChIKey of 1-amino-N-(1-hydroxy-2-methylbutan-2-yl)cyclopropane-1-carboxamide?
The InChIKey is QSMSBHMJPROJHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-3-8(2,6-12)11-7(13)9(10)4-5-9/h12H,3-6,10H2,1-2H3,(H,11,13).
What are the key properties of 1-amino-N-(1-hydroxy-2-methylbutan-2-yl)cyclopropane-1-carboxamide?
1-amino-N-(1-hydroxy-2-methylbutan-2-yl)cyclopropane-1-carboxamide has a molecular weight of 186.25 g/mol, XLogP of -0.25, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(1-hydroxy-2-methylbutan-2-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 65457260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).