methyl (2S)-2-[(3-aminocyclopentyl)amino]propanoate

C9H18N2O2 — CID 79462002

IUPACmethyl (2S)-2-[(3-aminocyclopentyl)amino]propanoate
SMILESCOC(=O)[C@H](C)NC1CCC(N)C1
InChIInChI=1S/C9H18N2O2/c1-6(9(12)13-2)11-8-4-3-7(10)5-8/h6-8,11H,3-5,10H2,1-2H3/t6-,7?,8?/m0/s1
InChIKeySVQDSSJPODGHLW-KKMMWDRVSA-N
MW186.25 g/mol
LogP0.02
Rot. Bonds3

About methyl (2S)-2-[(3-aminocyclopentyl)amino]propanoate

methyl (2S)-2-[(3-aminocyclopentyl)amino]propanoate (PubChem CID 79462002) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is methyl (2S)-2-[(3-aminocyclopentyl)amino]propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[(3-aminocyclopentyl)amino]propanoate
PubChem CID79462002
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Namemethyl (2S)-2-[(3-aminocyclopentyl)amino]propanoate
SMILESCOC(=O)[C@H](C)NC1CCC(N)C1
InChIInChI=1S/C9H18N2O2/c1-6(9(12)13-2)11-8-4-3-7(10)5-8/h6-8,11H,3-5,10H2,1-2H3/t6-,7?,8?/m0/s1
InChIKeySVQDSSJPODGHLW-KKMMWDRVSA-N
XLogP0.02
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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methyl (2S)-2-[(3-propan-2-ylcyclobutyl)amino]propanoate
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methyl 2-[(3-aminocyclopentanecarbonyl)amino]propanoate;hydrochloride
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(2S)-2-(cyclopropylamino)propanamide
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methyl (2S)-2-[[(3R)-1,1-dioxothiolan-3-yl]amino]propanoate
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methyl (2S)-2-[[(3S)-1,1-dioxothiolan-3-yl]amino]propanoate
CID 40546545
methyl 2-[(3,3-dimethylcyclopentyl)amino]propanoate
CID 80705486
methyl (2S)-2-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]propanoate
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2-[(3-aminocyclohexyl)amino]-N-ethylpropanamide
CID 79459315
methyl (2S)-2-[(4,4-dimethylcycloheptyl)amino]propanoate
CID 65084501
methyl (2S)-2-[(1-ethylpiperidin-4-yl)amino]propanoate
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Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[(3-aminocyclopentyl)amino]propanoate?
The IUPAC name of methyl (2S)-2-[(3-aminocyclopentyl)amino]propanoate (CID 79462002) is methyl (2S)-2-[(3-aminocyclopentyl)amino]propanoate.
What is the SMILES notation for methyl (2S)-2-[(3-aminocyclopentyl)amino]propanoate?
The canonical SMILES for methyl (2S)-2-[(3-aminocyclopentyl)amino]propanoate is COC(=O)[C@H](C)NC1CCC(N)C1.
What is the InChIKey of methyl (2S)-2-[(3-aminocyclopentyl)amino]propanoate?
The InChIKey is SVQDSSJPODGHLW-KKMMWDRVSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-6(9(12)13-2)11-8-4-3-7(10)5-8/h6-8,11H,3-5,10H2,1-2H3/t6-,7?,8?/m0/s1.
What are the key properties of methyl (2S)-2-[(3-aminocyclopentyl)amino]propanoate?
methyl (2S)-2-[(3-aminocyclopentyl)amino]propanoate has a molecular weight of 186.25 g/mol, XLogP of 0.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[(3-aminocyclopentyl)amino]propanoate is sourced from PubChem (CID 79462002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).