tert-butyl (2R)-2-[(3-methylcyclopentyl)amino]propanoate

C13H25NO2 — CID 103903777

IUPACtert-butyl (2R)-2-[(3-methylcyclopentyl)amino]propanoate
SMILESCC1CCC(N[C@H](C)C(=O)OC(C)(C)C)C1
InChIInChI=1S/C13H25NO2/c1-9-6-7-11(8-9)14-10(2)12(15)16-13(3,4)5/h9-11,14H,6-8H2,1-5H3/t9?,10-,11?/m1/s1
InChIKeyPHUJMYMXSSPTJE-HSOILSAZSA-N
MW227.35 g/mol
LogP2.49
Rot. Bonds3

About tert-butyl (2R)-2-[(3-methylcyclopentyl)amino]propanoate

tert-butyl (2R)-2-[(3-methylcyclopentyl)amino]propanoate (PubChem CID 103903777) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is tert-butyl (2R)-2-[(3-methylcyclopentyl)amino]propanoate.

Molecular Properties

Compound Nametert-butyl (2R)-2-[(3-methylcyclopentyl)amino]propanoate
PubChem CID103903777
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Nametert-butyl (2R)-2-[(3-methylcyclopentyl)amino]propanoate
SMILESCC1CCC(N[C@H](C)C(=O)OC(C)(C)C)C1
InChIInChI=1S/C13H25NO2/c1-9-6-7-11(8-9)14-10(2)12(15)16-13(3,4)5/h9-11,14H,6-8H2,1-5H3/t9?,10-,11?/m1/s1
InChIKeyPHUJMYMXSSPTJE-HSOILSAZSA-N
XLogP2.49
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 2-[(3-methylsulfanylcyclopentyl)amino]propanoate
CID 103711215
tert-butyl (2S)-2-(cyclobutylamino)propanoate
CID 57051933
tert-butyl 2-(cyclobutylamino)propanoate
CID 66339057
tert-butyl (2S)-2-(thian-4-ylamino)propanoate
CID 103904043
tert-butyl 2-(3-tricyclo[3.2.1.02,4]octanylamino)propanoate
CID 114095991
tert-butyl (2R)-2-[[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-2-oxoethyl]amino]propanoate
CID 67262765
tert-butyl 2-[(3-methylcyclopentyl)amino]acetate
CID 58369136
tert-butyl 4-[(3-methylcyclopentyl)amino]piperidine-1-carboxylate
CID 115653281
tert-butyl 3-[(1-methoxy-1-oxopropan-2-yl)amino]pyrrolidine-1-carboxylate
CID 79040519
methyl (2S)-2-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]amino]propanoate
CID 80560632
trans-(1S,3S)-3-methyl-N-propan-2-ylcyclopentan-1-amine
CID 58394445
(1R)-3-methyl-N-propan-2-ylcyclopentan-1-amine
CID 58394376

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-[(3-methylcyclopentyl)amino]propanoate?
The IUPAC name of tert-butyl (2R)-2-[(3-methylcyclopentyl)amino]propanoate (CID 103903777) is tert-butyl (2R)-2-[(3-methylcyclopentyl)amino]propanoate.
What is the SMILES notation for tert-butyl (2R)-2-[(3-methylcyclopentyl)amino]propanoate?
The canonical SMILES for tert-butyl (2R)-2-[(3-methylcyclopentyl)amino]propanoate is CC1CCC(N[C@H](C)C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl (2R)-2-[(3-methylcyclopentyl)amino]propanoate?
The InChIKey is PHUJMYMXSSPTJE-HSOILSAZSA-N. The full InChI is InChI=1S/C13H25NO2/c1-9-6-7-11(8-9)14-10(2)12(15)16-13(3,4)5/h9-11,14H,6-8H2,1-5H3/t9?,10-,11?/m1/s1.
What are the key properties of tert-butyl (2R)-2-[(3-methylcyclopentyl)amino]propanoate?
tert-butyl (2R)-2-[(3-methylcyclopentyl)amino]propanoate has a molecular weight of 227.35 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-[(3-methylcyclopentyl)amino]propanoate is sourced from PubChem (CID 103903777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).