propan-2-yl 2,3-bis(tert-butylamino)propanoate

C14H30N2O2 — CID 3030822

IUPACpropan-2-yl 2,3-bis(tert-butylamino)propanoate
SMILESCC(C)OC(=O)C(CNC(C)(C)C)NC(C)(C)C
InChIInChI=1S/C14H30N2O2/c1-10(2)18-12(17)11(16-14(6,7)8)9-15-13(3,4)5/h10-11,15-16H,9H2,1-8H3
InChIKeyFTTBUHJHQYXJLQ-UHFFFAOYSA-N
MW258.41 g/mol
LogP2.08
Rot. Bonds5

About propan-2-yl 2,3-bis(tert-butylamino)propanoate

propan-2-yl 2,3-bis(tert-butylamino)propanoate (PubChem CID 3030822) has the molecular formula C14H30N2O2 and a molecular weight of 258.41 g/mol. Its IUPAC name is propan-2-yl 2,3-bis(tert-butylamino)propanoate.

Molecular Properties

Compound Namepropan-2-yl 2,3-bis(tert-butylamino)propanoate
PubChem CID3030822
Molecular FormulaC14H30N2O2
Molecular Weight258.41 g/mol
Exact Mass258.23
IUPAC Namepropan-2-yl 2,3-bis(tert-butylamino)propanoate
SMILESCC(C)OC(=O)C(CNC(C)(C)C)NC(C)(C)C
InChIInChI=1S/C14H30N2O2/c1-10(2)18-12(17)11(16-14(6,7)8)9-15-13(3,4)5/h10-11,15-16H,9H2,1-8H3
InChIKeyFTTBUHJHQYXJLQ-UHFFFAOYSA-N
XLogP2.08
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 1-(propan-2-yl)piperazine-2-carboxylate
CID 10559962
Methyl 3-(dimethylamino)-2-methyl-2-(methylamino)propanoate
CID 61911664
Tert-butyl (2S)-piperazine-2-carboxylate
CID 45115680
N-(2-Boc-aminoethyl)glycine
CID 57154051
Methyl 2-methyl-2-(methylamino)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanoate
CID 61904735
Ethyl 2-methyl-2-(methylamino)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanoate
CID 61904736
Ethyl 3-[ethyl(2,2,2-trifluoroethyl)amino]-2-methyl-2-(methylamino)propanoate
CID 61904741
Methyl 2-(ethylamino)-2-methyl-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanoate
CID 61904931
Ethyl 2-(ethylamino)-2-methyl-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanoate
CID 61904932
Ethyl 2-(ethylamino)-3-[ethyl(2,2,2-trifluoroethyl)amino]-2-methylpropanoate
CID 61904936
Ethyl 3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-methyl-2-(methylamino)propanoate
CID 61904938
Ethyl 2-methyl-2-(methylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]propanoate
CID 61904940

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2,3-bis(tert-butylamino)propanoate?
The IUPAC name of propan-2-yl 2,3-bis(tert-butylamino)propanoate (CID 3030822) is propan-2-yl 2,3-bis(tert-butylamino)propanoate.
What is the SMILES notation for propan-2-yl 2,3-bis(tert-butylamino)propanoate?
The canonical SMILES for propan-2-yl 2,3-bis(tert-butylamino)propanoate is CC(C)OC(=O)C(CNC(C)(C)C)NC(C)(C)C.
What is the InChIKey of propan-2-yl 2,3-bis(tert-butylamino)propanoate?
The InChIKey is FTTBUHJHQYXJLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O2/c1-10(2)18-12(17)11(16-14(6,7)8)9-15-13(3,4)5/h10-11,15-16H,9H2,1-8H3.
What are the key properties of propan-2-yl 2,3-bis(tert-butylamino)propanoate?
propan-2-yl 2,3-bis(tert-butylamino)propanoate has a molecular weight of 258.41 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2,3-bis(tert-butylamino)propanoate is sourced from PubChem (CID 3030822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).