ethyl 2-amino-3-[[1-(2-methylpropyl)cyclopentyl]methylamino]propanoate

C15H30N2O2 — CID 114281375

IUPACethyl 2-amino-3-[[1-(2-methylpropyl)cyclopentyl]methylamino]propanoate
SMILESCCOC(=O)C(N)CNCC1(CC(C)C)CCCC1
InChIInChI=1S/C15H30N2O2/c1-4-19-14(18)13(16)10-17-11-15(9-12(2)3)7-5-6-8-15/h12-13,17H,4-11,16H2,1-3H3
InChIKeyXWXKSUUVAPOGHK-UHFFFAOYSA-N
MW270.42 g/mol
LogP2.07
Rot. Bonds8

About ethyl 2-amino-3-[[1-(2-methylpropyl)cyclopentyl]methylamino]propanoate

ethyl 2-amino-3-[[1-(2-methylpropyl)cyclopentyl]methylamino]propanoate (PubChem CID 114281375) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is ethyl 2-amino-3-[[1-(2-methylpropyl)cyclopentyl]methylamino]propanoate.

Molecular Properties

Compound Nameethyl 2-amino-3-[[1-(2-methylpropyl)cyclopentyl]methylamino]propanoate
PubChem CID114281375
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Nameethyl 2-amino-3-[[1-(2-methylpropyl)cyclopentyl]methylamino]propanoate
SMILESCCOC(=O)C(N)CNCC1(CC(C)C)CCCC1
InChIInChI=1S/C15H30N2O2/c1-4-19-14(18)13(16)10-17-11-15(9-12(2)3)7-5-6-8-15/h12-13,17H,4-11,16H2,1-3H3
InChIKeyXWXKSUUVAPOGHK-UHFFFAOYSA-N
XLogP2.07
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-amino-3-[[1-(2-methylpropyl)cyclopentyl]methylamino]propanoate
CID 114281374
1-amino-N-[[1-(2-methylpropyl)cyclobutyl]methyl]cyclopropane-1-carboxamide
CID 119788836
1-[[1-(2-methylpropyl)cyclopentyl]methyl]-3-propylurea
CID 116656790
[1-[[[1-(2-methylpropyl)cyclopentyl]methylamino]methyl]cyclobutyl]methanamine
CID 113311851
5-methoxy-1-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pentane-1,2-diamine
CID 81101419
ethyl 2-amino-3-[1-[(dimethylamino)methyl]cyclopentyl]propanoate
CID 170885076
3-amino-N-[[1-(2-methylpropyl)cyclobutyl]methyl]propanamide
CID 119326669
(2S)-2-amino-N-[[1-(2-methylpropyl)cyclobutyl]methyl]-4-methylsulfanylbutanamide
CID 119326675
N-[[1-(2-methylpropyl)cyclobutyl]methyl]butan-1-amine
CID 167274692
methyl 2-[[1-(2-methylpropyl)cyclopentyl]methylamino]-2-oxoacetate
CID 112617453
2-ethyl-N'-[[1-(2-methylpropyl)cyclopentyl]methyl]butane-1,4-diamine
CID 81080504
2-(methylamino)-N-[[1-(2-methylpropyl)cyclobutyl]methyl]acetamide
CID 119788858

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-3-[[1-(2-methylpropyl)cyclopentyl]methylamino]propanoate?
The IUPAC name of ethyl 2-amino-3-[[1-(2-methylpropyl)cyclopentyl]methylamino]propanoate (CID 114281375) is ethyl 2-amino-3-[[1-(2-methylpropyl)cyclopentyl]methylamino]propanoate.
What is the SMILES notation for ethyl 2-amino-3-[[1-(2-methylpropyl)cyclopentyl]methylamino]propanoate?
The canonical SMILES for ethyl 2-amino-3-[[1-(2-methylpropyl)cyclopentyl]methylamino]propanoate is CCOC(=O)C(N)CNCC1(CC(C)C)CCCC1.
What is the InChIKey of ethyl 2-amino-3-[[1-(2-methylpropyl)cyclopentyl]methylamino]propanoate?
The InChIKey is XWXKSUUVAPOGHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-4-19-14(18)13(16)10-17-11-15(9-12(2)3)7-5-6-8-15/h12-13,17H,4-11,16H2,1-3H3.
What are the key properties of ethyl 2-amino-3-[[1-(2-methylpropyl)cyclopentyl]methylamino]propanoate?
ethyl 2-amino-3-[[1-(2-methylpropyl)cyclopentyl]methylamino]propanoate has a molecular weight of 270.42 g/mol, XLogP of 2.07, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-3-[[1-(2-methylpropyl)cyclopentyl]methylamino]propanoate is sourced from PubChem (CID 114281375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).