2-amino-N-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]cyclopentane-1-carboxamide

C12H23N3O3 — CID 113407184

IUPAC2-amino-N-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]cyclopentane-1-carboxamide
SMILESCOCCNC(=O)C(C)NC(=O)C1CCCC1N
InChIInChI=1S/C12H23N3O3/c1-8(11(16)14-6-7-18-2)15-12(17)9-4-3-5-10(9)13/h8-10H,3-7,13H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyMVQVYGQEUSJRMG-UHFFFAOYSA-N
MW257.33 g/mol
LogP-0.62
Rot. Bonds6

About 2-amino-N-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]cyclopentane-1-carboxamide

2-amino-N-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]cyclopentane-1-carboxamide (PubChem CID 113407184) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is 2-amino-N-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]cyclopentane-1-carboxamide
PubChem CID113407184
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC Name2-amino-N-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]cyclopentane-1-carboxamide
SMILESCOCCNC(=O)C(C)NC(=O)C1CCCC1N
InChIInChI=1S/C12H23N3O3/c1-8(11(16)14-6-7-18-2)15-12(17)9-4-3-5-10(9)13/h8-10H,3-7,13H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyMVQVYGQEUSJRMG-UHFFFAOYSA-N
XLogP-0.62
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 5-0.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-(4-methoxybutan-2-yl)cyclohexane-1-carboxamide
CID 64603110
cis-(1S,2R)-2-[[1-(2-methoxyethylamino)-1-oxopropan-2-yl]carbamoyl]cyclopropane-1-carboxylic acid
CID 114092791
cis-(1R,2S)-2-amino-N-propan-2-ylcyclopentane-1-carboxamide
CID 67437509
2-(cyclobutylcarbamoylamino)-N-(2-methoxyethyl)propanamide
CID 116657734
methyl 3-[(2-aminocyclopentanecarbonyl)amino]butanoate
CID 119695162
2-amino-N-(1-methoxypentan-2-yl)cyclopentane-1-carboxamide
CID 64850676
2-[(2-aminocyclohexanecarbonyl)amino]-4-methoxybutanoic acid
CID 64824444
2-amino-N-[4-(2-methoxyethoxy)butyl]cyclohexane-1-carboxamide
CID 115738981
3-[(2-aminocyclopentanecarbonyl)amino]butanoic acid
CID 64824606
2-(dicyclopropylmethylamino)-N-(2-methoxyethyl)propanamide
CID 60714122
2-amino-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)cyclopentane-1-carboxamide
CID 112701757
4-[(2-aminocyclopentanecarbonyl)amino]-3-methoxybutanoic acid
CID 103157199

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]cyclopentane-1-carboxamide?
The IUPAC name of 2-amino-N-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]cyclopentane-1-carboxamide (CID 113407184) is 2-amino-N-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]cyclopentane-1-carboxamide.
What is the SMILES notation for 2-amino-N-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]cyclopentane-1-carboxamide?
The canonical SMILES for 2-amino-N-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]cyclopentane-1-carboxamide is COCCNC(=O)C(C)NC(=O)C1CCCC1N.
What is the InChIKey of 2-amino-N-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]cyclopentane-1-carboxamide?
The InChIKey is MVQVYGQEUSJRMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3/c1-8(11(16)14-6-7-18-2)15-12(17)9-4-3-5-10(9)13/h8-10H,3-7,13H2,1-2H3,(H,14,16)(H,15,17).
What are the key properties of 2-amino-N-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]cyclopentane-1-carboxamide?
2-amino-N-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]cyclopentane-1-carboxamide has a molecular weight of 257.33 g/mol, XLogP of -0.62, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]cyclopentane-1-carboxamide is sourced from PubChem (CID 113407184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).