3-amino-N-[1-(butan-2-ylamino)-1-oxopropan-2-yl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride

C15H28ClN3O2 — CID 119756278

IUPAC3-amino-N-[1-(butan-2-ylamino)-1-oxopropan-2-yl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
SMILESCCC(C)NC(=O)C(C)NC(=O)C1C2CCC(C2)C1N.Cl
InChIInChI=1S/C15H27N3O2.ClH/c1-4-8(2)17-14(19)9(3)18-15(20)12-10-5-6-11(7-10)13(12)16;/h8-13H,4-7,16H2,1-3H3,(H,17,19)(H,18,20);1H
InChIKeyCLKFXHDRPDWHRH-UHFFFAOYSA-N
MW317.86 g/mol
LogP1.20
Rot. Bonds5

About 3-amino-N-[1-(butan-2-ylamino)-1-oxopropan-2-yl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride

3-amino-N-[1-(butan-2-ylamino)-1-oxopropan-2-yl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride (PubChem CID 119756278) has the molecular formula C15H28ClN3O2 and a molecular weight of 317.86 g/mol. Its IUPAC name is 3-amino-N-[1-(butan-2-ylamino)-1-oxopropan-2-yl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[1-(butan-2-ylamino)-1-oxopropan-2-yl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
PubChem CID119756278
Molecular FormulaC15H28ClN3O2
Molecular Weight317.86 g/mol
Exact Mass317.19
IUPAC Name3-amino-N-[1-(butan-2-ylamino)-1-oxopropan-2-yl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
SMILESCCC(C)NC(=O)C(C)NC(=O)C1C2CCC(C2)C1N.Cl
InChIInChI=1S/C15H27N3O2.ClH/c1-4-8(2)17-14(19)9(3)18-15(20)12-10-5-6-11(7-10)13(12)16;/h8-13H,4-7,16H2,1-3H3,(H,17,19)(H,18,20);1H
InChIKeyCLKFXHDRPDWHRH-UHFFFAOYSA-N
XLogP1.20
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.86
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-amino-N-[1-(butan-2-ylamino)-1-oxopropan-2-yl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride with MolForge

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Related Compounds

methyl (2R)-2-[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]propanoate
CID 119781274
3-amino-N-(1-cyclopropylpropan-2-yl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119784586
3-amino-N-[2-oxo-2-(propan-2-ylamino)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119692045
3-amino-N-[1-(5-methylthiophen-2-yl)propan-2-yl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119796724
3-amino-N-(1-phenylethyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119669695
N-[1-(butan-2-ylamino)-1-oxopropan-2-yl]-2-hydroxycyclopentane-1-carboxamide
CID 110014350
(2R)-2-[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]-3-hydroxypropanoic acid
CID 80750134
3-amino-N-[1-(4-methylphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119705788
3-amino-N-[1-(3,5-dimethylphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119778488
3-amino-N-[1-(2,4-dimethylphenyl)propan-2-yl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119779216
3-amino-N-[1-(2,4-difluorophenyl)propyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119796283
3-amino-N-(2-cyclopropylpropyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 113266414

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(butan-2-ylamino)-1-oxopropan-2-yl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-[1-(butan-2-ylamino)-1-oxopropan-2-yl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride (CID 119756278) is 3-amino-N-[1-(butan-2-ylamino)-1-oxopropan-2-yl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[1-(butan-2-ylamino)-1-oxopropan-2-yl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-[1-(butan-2-ylamino)-1-oxopropan-2-yl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride is CCC(C)NC(=O)C(C)NC(=O)C1C2CCC(C2)C1N.Cl.
What is the InChIKey of 3-amino-N-[1-(butan-2-ylamino)-1-oxopropan-2-yl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
The InChIKey is CLKFXHDRPDWHRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2.ClH/c1-4-8(2)17-14(19)9(3)18-15(20)12-10-5-6-11(7-10)13(12)16;/h8-13H,4-7,16H2,1-3H3,(H,17,19)(H,18,20);1H.
What are the key properties of 3-amino-N-[1-(butan-2-ylamino)-1-oxopropan-2-yl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
3-amino-N-[1-(butan-2-ylamino)-1-oxopropan-2-yl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride has a molecular weight of 317.86 g/mol, XLogP of 1.20, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(butan-2-ylamino)-1-oxopropan-2-yl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride is sourced from PubChem (CID 119756278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).