3-amino-N-[1-(tert-butylamino)-1-oxopropan-2-yl]cyclopentane-1-carboxamide

C13H25N3O2 — CID 112701696

IUPAC3-amino-N-[1-(tert-butylamino)-1-oxopropan-2-yl]cyclopentane-1-carboxamide
SMILESCC(NC(=O)C1CCC(N)C1)C(=O)NC(C)(C)C
InChIInChI=1S/C13H25N3O2/c1-8(11(17)16-13(2,3)4)15-12(18)9-5-6-10(14)7-9/h8-10H,5-7,14H2,1-4H3,(H,15,18)(H,16,17)
InChIKeyULCHXRRTRIZURY-UHFFFAOYSA-N
MW255.36 g/mol
LogP0.53
Rot. Bonds3

About 3-amino-N-[1-(tert-butylamino)-1-oxopropan-2-yl]cyclopentane-1-carboxamide

3-amino-N-[1-(tert-butylamino)-1-oxopropan-2-yl]cyclopentane-1-carboxamide (PubChem CID 112701696) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 3-amino-N-[1-(tert-butylamino)-1-oxopropan-2-yl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[1-(tert-butylamino)-1-oxopropan-2-yl]cyclopentane-1-carboxamide
PubChem CID112701696
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name3-amino-N-[1-(tert-butylamino)-1-oxopropan-2-yl]cyclopentane-1-carboxamide
SMILESCC(NC(=O)C1CCC(N)C1)C(=O)NC(C)(C)C
InChIInChI=1S/C13H25N3O2/c1-8(11(17)16-13(2,3)4)15-12(18)9-5-6-10(14)7-9/h8-10H,5-7,14H2,1-4H3,(H,15,18)(H,16,17)
InChIKeyULCHXRRTRIZURY-UHFFFAOYSA-N
XLogP0.53
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(tert-butylamino)-1-oxopropan-2-yl]cyclopropanecarboxamide
CID 112684633
3-amino-N-[(2S)-1-amino-1-oxopropan-2-yl]cyclopentane-1-carboxamide
CID 130163371
3-amino-N-(1-amino-1-oxopropan-2-yl)cyclopentane-1-carboxamide
CID 66031893
methyl 2-[(3-aminocyclopentanecarbonyl)amino]propanoate;hydrochloride
CID 119726434
N-[1-(tert-butylamino)-1-oxopropan-2-yl]pyrrolidine-3-carboxamide;hydrochloride
CID 119748205
(2S,3R)-2-[(3-aminocyclopentanecarbonyl)amino]-3-hydroxybutanoic acid
CID 104965247
4-amino-N-tert-butylcyclohexane-1-carboxamide;hydrochloride
CID 91668524
5-amino-N-[1-(tert-butylamino)-1-oxopropan-2-yl]-2,4-dimethylcyclohexane-1-carboxamide
CID 102706891
3-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]cyclopentane-1-carboxamide
CID 103109051
3-amino-N-(1-amino-3-methyl-1-oxobutan-2-yl)cyclopentane-1-carboxamide
CID 103810507
(2R)-2-[(3-aminocyclopentanecarbonyl)amino]-3-methylbutanoic acid
CID 66009453
3-amino-N-(1-cyclopentylethyl)cyclopentane-1-carboxamide;hydrochloride
CID 119782445

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(tert-butylamino)-1-oxopropan-2-yl]cyclopentane-1-carboxamide?
The IUPAC name of 3-amino-N-[1-(tert-butylamino)-1-oxopropan-2-yl]cyclopentane-1-carboxamide (CID 112701696) is 3-amino-N-[1-(tert-butylamino)-1-oxopropan-2-yl]cyclopentane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[1-(tert-butylamino)-1-oxopropan-2-yl]cyclopentane-1-carboxamide?
The canonical SMILES for 3-amino-N-[1-(tert-butylamino)-1-oxopropan-2-yl]cyclopentane-1-carboxamide is CC(NC(=O)C1CCC(N)C1)C(=O)NC(C)(C)C.
What is the InChIKey of 3-amino-N-[1-(tert-butylamino)-1-oxopropan-2-yl]cyclopentane-1-carboxamide?
The InChIKey is ULCHXRRTRIZURY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-8(11(17)16-13(2,3)4)15-12(18)9-5-6-10(14)7-9/h8-10H,5-7,14H2,1-4H3,(H,15,18)(H,16,17).
What are the key properties of 3-amino-N-[1-(tert-butylamino)-1-oxopropan-2-yl]cyclopentane-1-carboxamide?
3-amino-N-[1-(tert-butylamino)-1-oxopropan-2-yl]cyclopentane-1-carboxamide has a molecular weight of 255.36 g/mol, XLogP of 0.53, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(tert-butylamino)-1-oxopropan-2-yl]cyclopentane-1-carboxamide is sourced from PubChem (CID 112701696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).