tert-butyl 2-(1-pyrrolidin-1-ylpropan-2-ylamino)propanoate

C14H28N2O2 — CID 66337589

IUPACtert-butyl 2-(1-pyrrolidin-1-ylpropan-2-ylamino)propanoate
SMILESCC(CN1CCCC1)NC(C)C(=O)OC(C)(C)C
InChIInChI=1S/C14H28N2O2/c1-11(10-16-8-6-7-9-16)15-12(2)13(17)18-14(3,4)5/h11-12,15H,6-10H2,1-5H3
InChIKeyRRVORQVOCRSVGQ-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.79
Rot. Bonds5

About tert-butyl 2-(1-pyrrolidin-1-ylpropan-2-ylamino)propanoate

tert-butyl 2-(1-pyrrolidin-1-ylpropan-2-ylamino)propanoate (PubChem CID 66337589) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is tert-butyl 2-(1-pyrrolidin-1-ylpropan-2-ylamino)propanoate.

Molecular Properties

Compound Nametert-butyl 2-(1-pyrrolidin-1-ylpropan-2-ylamino)propanoate
PubChem CID66337589
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Nametert-butyl 2-(1-pyrrolidin-1-ylpropan-2-ylamino)propanoate
SMILESCC(CN1CCCC1)NC(C)C(=O)OC(C)(C)C
InChIInChI=1S/C14H28N2O2/c1-11(10-16-8-6-7-9-16)15-12(2)13(17)18-14(3,4)5/h11-12,15H,6-10H2,1-5H3
InChIKeyRRVORQVOCRSVGQ-UHFFFAOYSA-N
XLogP1.79
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-piperidin-1-ylpropan-2-ylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 54938177
N-ethyl-2-(1-pyrrolidin-1-ylpropan-2-ylamino)propanamide
CID 61473966
tert-butyl N-[3-(1-piperidin-1-ylpropan-2-ylamino)cyclobutyl]carbamate
CID 103759524
tert-butyl N-[(2S)-3-methyl-1-pyrrolidin-1-ylpentan-2-yl]carbamate
CID 101375813
N'-hydroxy-2-(1-pyrrolidin-1-ylpropan-2-ylamino)propanimidamide
CID 77030857
tert-butyl N-[3-(1-pyrrolidin-1-ylpropan-2-ylamino)cyclohexyl]carbamate
CID 103720166
methyl 3-methyl-2-(pyrrolidin-1-ylmethyl)butanoate
CID 117242456
tert-butyl N-[(2S)-4-methyl-1-piperidin-1-ylpentan-2-yl]carbamate
CID 11832975
tert-butyl 2-(pyrrolidin-1-ylmethylamino)but-3-ynoate
CID 87501899
2-amino-3,3-dimethyl-N-(1-piperidin-1-ylpropan-2-yl)butanamide
CID 76893128
N-(methylcarbamoyl)-2-(1-piperidin-1-ylpropan-2-ylamino)propanamide
CID 61499941
tert-butyl 2-[2-[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]propyl]piperidine-1-carboxylate
CID 103723958

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(1-pyrrolidin-1-ylpropan-2-ylamino)propanoate?
The IUPAC name of tert-butyl 2-(1-pyrrolidin-1-ylpropan-2-ylamino)propanoate (CID 66337589) is tert-butyl 2-(1-pyrrolidin-1-ylpropan-2-ylamino)propanoate.
What is the SMILES notation for tert-butyl 2-(1-pyrrolidin-1-ylpropan-2-ylamino)propanoate?
The canonical SMILES for tert-butyl 2-(1-pyrrolidin-1-ylpropan-2-ylamino)propanoate is CC(CN1CCCC1)NC(C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-(1-pyrrolidin-1-ylpropan-2-ylamino)propanoate?
The InChIKey is RRVORQVOCRSVGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-11(10-16-8-6-7-9-16)15-12(2)13(17)18-14(3,4)5/h11-12,15H,6-10H2,1-5H3.
What are the key properties of tert-butyl 2-(1-pyrrolidin-1-ylpropan-2-ylamino)propanoate?
tert-butyl 2-(1-pyrrolidin-1-ylpropan-2-ylamino)propanoate has a molecular weight of 256.39 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(1-pyrrolidin-1-ylpropan-2-ylamino)propanoate is sourced from PubChem (CID 66337589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).