methyl 2-[(3-aminocyclopentanecarbonyl)amino]propanoate;hydrochloride

C10H19ClN2O3 — CID 119726434

IUPACmethyl 2-[(3-aminocyclopentanecarbonyl)amino]propanoate;hydrochloride
SMILESCOC(=O)C(C)NC(=O)C1CCC(N)C1.Cl
InChIInChI=1S/C10H18N2O3.ClH/c1-6(10(14)15-2)12-9(13)7-3-4-8(11)5-7;/h6-8H,3-5,11H2,1-2H3,(H,12,13);1H
InChIKeyHAXVKMPSKYNXPM-UHFFFAOYSA-N
MW250.73 g/mol
LogP0.21
Rot. Bonds3

About methyl 2-[(3-aminocyclopentanecarbonyl)amino]propanoate;hydrochloride

methyl 2-[(3-aminocyclopentanecarbonyl)amino]propanoate;hydrochloride (PubChem CID 119726434) has the molecular formula C10H19ClN2O3 and a molecular weight of 250.73 g/mol. Its IUPAC name is methyl 2-[(3-aminocyclopentanecarbonyl)amino]propanoate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-[(3-aminocyclopentanecarbonyl)amino]propanoate;hydrochloride
PubChem CID119726434
Molecular FormulaC10H19ClN2O3
Molecular Weight250.73 g/mol
Exact Mass250.11
IUPAC Namemethyl 2-[(3-aminocyclopentanecarbonyl)amino]propanoate;hydrochloride
SMILESCOC(=O)C(C)NC(=O)C1CCC(N)C1.Cl
InChIInChI=1S/C10H18N2O3.ClH/c1-6(10(14)15-2)12-9(13)7-3-4-8(11)5-7;/h6-8H,3-5,11H2,1-2H3,(H,12,13);1H
InChIKeyHAXVKMPSKYNXPM-UHFFFAOYSA-N
XLogP0.21
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2S)-2-[(3-aminocyclohexanecarbonyl)amino]propanoate
CID 63044300
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
3-amino-N-(1-amino-3-methyl-1-oxobutan-2-yl)cyclopentane-1-carboxamide
CID 103810507
methyl 2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]propanoate
CID 79527045
3-amino-N-[1-(tert-butylamino)-1-oxopropan-2-yl]cyclopentane-1-carboxamide
CID 112701696
methyl 2-(cycloheptanecarbonylamino)propanoate
CID 55208947
methyl (2S)-2-(cyclohexanecarbonylamino)propanoate
CID 2476646
methyl (2S)-2-[(9-aminobicyclo[3.3.1]nonane-3-carbonyl)amino]propanoate
CID 120985037
3-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]cyclopentane-1-carboxamide
CID 103109051
methyl (2R)-2-[(4-tert-butylcyclohexanecarbonyl)amino]propanoate
CID 113257909
3-amino-N-(1-cyclopentylethyl)cyclopentane-1-carboxamide;hydrochloride
CID 119782445

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-aminocyclopentanecarbonyl)amino]propanoate;hydrochloride?
The IUPAC name of methyl 2-[(3-aminocyclopentanecarbonyl)amino]propanoate;hydrochloride (CID 119726434) is methyl 2-[(3-aminocyclopentanecarbonyl)amino]propanoate;hydrochloride.
What is the SMILES notation for methyl 2-[(3-aminocyclopentanecarbonyl)amino]propanoate;hydrochloride?
The canonical SMILES for methyl 2-[(3-aminocyclopentanecarbonyl)amino]propanoate;hydrochloride is COC(=O)C(C)NC(=O)C1CCC(N)C1.Cl.
What is the InChIKey of methyl 2-[(3-aminocyclopentanecarbonyl)amino]propanoate;hydrochloride?
The InChIKey is HAXVKMPSKYNXPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3.ClH/c1-6(10(14)15-2)12-9(13)7-3-4-8(11)5-7;/h6-8H,3-5,11H2,1-2H3,(H,12,13);1H.
What are the key properties of methyl 2-[(3-aminocyclopentanecarbonyl)amino]propanoate;hydrochloride?
methyl 2-[(3-aminocyclopentanecarbonyl)amino]propanoate;hydrochloride has a molecular weight of 250.73 g/mol, XLogP of 0.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3-aminocyclopentanecarbonyl)amino]propanoate;hydrochloride is sourced from PubChem (CID 119726434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).