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

C14H28N2O2 — CID 114281374

IUPACmethyl 2-amino-3-[[1-(2-methylpropyl)cyclopentyl]methylamino]propanoate
SMILESCOC(=O)C(N)CNCC1(CC(C)C)CCCC1
InChIInChI=1S/C14H28N2O2/c1-11(2)8-14(6-4-5-7-14)10-16-9-12(15)13(17)18-3/h11-12,16H,4-10,15H2,1-3H3
InChIKeyPVMPJVIAJMZQGV-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.68
Rot. Bonds7

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

methyl 2-amino-3-[[1-(2-methylpropyl)cyclopentyl]methylamino]propanoate (PubChem CID 114281374) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is methyl 2-amino-3-[[1-(2-methylpropyl)cyclopentyl]methylamino]propanoate.

Molecular Properties

Compound Namemethyl 2-amino-3-[[1-(2-methylpropyl)cyclopentyl]methylamino]propanoate
PubChem CID114281374
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Namemethyl 2-amino-3-[[1-(2-methylpropyl)cyclopentyl]methylamino]propanoate
SMILESCOC(=O)C(N)CNCC1(CC(C)C)CCCC1
InChIInChI=1S/C14H28N2O2/c1-11(2)8-14(6-4-5-7-14)10-16-9-12(15)13(17)18-3/h11-12,16H,4-10,15H2,1-3H3
InChIKeyPVMPJVIAJMZQGV-UHFFFAOYSA-N
XLogP1.68
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-amino-3-[[1-(2-methylpropyl)cyclopentyl]methylamino]propanoate
CID 114281375
5-methoxy-1-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pentane-1,2-diamine
CID 81101419
methyl 2-[[1-(2-methylpropyl)cyclopentyl]methylamino]-2-oxoacetate
CID 112617453
1-amino-N-[[1-(2-methylpropyl)cyclobutyl]methyl]cyclopropane-1-carboxamide
CID 119788836
[1-[[[1-(2-methylpropyl)cyclopentyl]methylamino]methyl]cyclobutyl]methanamine
CID 113311851
3-amino-N-[[1-(2-methylpropyl)cyclobutyl]methyl]propanamide
CID 119326669
(2S)-2-amino-N-[[1-(2-methylpropyl)cyclobutyl]methyl]-4-methylsulfanylbutanamide
CID 119326675
2-(methylamino)-N-[[1-(2-methylpropyl)cyclobutyl]methyl]acetamide
CID 119788858
methyl (2S)-2-amino-3-(1-methylcyclopentyl)propanoate
CID 58564877
1-amino-N-[[1-(2-methylpropyl)cyclopropyl]methyl]cyclopentane-1-carboxamide
CID 119345128
3,3,3-trifluoro-N'-hydroxy-2-[[[1-(2-methylpropyl)cyclopentyl]methylamino]methyl]propanimidamide
CID 103369991
tert-butyl N-[3-[[1-(2-methylpropyl)cyclopentyl]methylamino]propyl]carbamate
CID 103821958

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-3-[[1-(2-methylpropyl)cyclopentyl]methylamino]propanoate?
The IUPAC name of methyl 2-amino-3-[[1-(2-methylpropyl)cyclopentyl]methylamino]propanoate (CID 114281374) is methyl 2-amino-3-[[1-(2-methylpropyl)cyclopentyl]methylamino]propanoate.
What is the SMILES notation for methyl 2-amino-3-[[1-(2-methylpropyl)cyclopentyl]methylamino]propanoate?
The canonical SMILES for methyl 2-amino-3-[[1-(2-methylpropyl)cyclopentyl]methylamino]propanoate is COC(=O)C(N)CNCC1(CC(C)C)CCCC1.
What is the InChIKey of methyl 2-amino-3-[[1-(2-methylpropyl)cyclopentyl]methylamino]propanoate?
The InChIKey is PVMPJVIAJMZQGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-11(2)8-14(6-4-5-7-14)10-16-9-12(15)13(17)18-3/h11-12,16H,4-10,15H2,1-3H3.
What are the key properties of methyl 2-amino-3-[[1-(2-methylpropyl)cyclopentyl]methylamino]propanoate?
methyl 2-amino-3-[[1-(2-methylpropyl)cyclopentyl]methylamino]propanoate has a molecular weight of 256.39 g/mol, XLogP of 1.68, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-3-[[1-(2-methylpropyl)cyclopentyl]methylamino]propanoate is sourced from PubChem (CID 114281374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).