dipropan-2-yl 2,3-bis(propan-2-ylamino)butanedioate

C16H32N2O4 — CID 101067350

IUPACdipropan-2-yl 2,3-bis(propan-2-ylamino)butanedioate
SMILESCC(C)NC(C(=O)OC(C)C)C(NC(C)C)C(=O)OC(C)C
InChIInChI=1S/C16H32N2O4/c1-9(2)17-13(15(19)21-11(5)6)14(18-10(3)4)16(20)22-12(7)8/h9-14,17-18H,1-8H3
InChIKeyBYSMLDQGZFWLBE-UHFFFAOYSA-N
MW316.44 g/mol
LogP1.62
Rot. Bonds9

About dipropan-2-yl 2,3-bis(propan-2-ylamino)butanedioate

dipropan-2-yl 2,3-bis(propan-2-ylamino)butanedioate (PubChem CID 101067350) has the molecular formula C16H32N2O4 and a molecular weight of 316.44 g/mol. Its IUPAC name is dipropan-2-yl 2,3-bis(propan-2-ylamino)butanedioate.

Molecular Properties

Compound Namedipropan-2-yl 2,3-bis(propan-2-ylamino)butanedioate
PubChem CID101067350
Molecular FormulaC16H32N2O4
Molecular Weight316.44 g/mol
Exact Mass316.24
IUPAC Namedipropan-2-yl 2,3-bis(propan-2-ylamino)butanedioate
SMILESCC(C)NC(C(=O)OC(C)C)C(NC(C)C)C(=O)OC(C)C
InChIInChI=1S/C16H32N2O4/c1-9(2)17-13(15(19)21-11(5)6)14(18-10(3)4)16(20)22-12(7)8/h9-14,17-18H,1-8H3
InChIKeyBYSMLDQGZFWLBE-UHFFFAOYSA-N
XLogP1.62
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

propan-2-yl (3R)-3-hydroxy-2-(propan-2-ylamino)butanoate
CID 140961196
diethyl 2,3-bis(propan-2-ylamino)butanedioate
CID 101067349
ethane;propan-2-yl (2S)-3-methyl-2-(methylamino)butanoate
CID 142287179
methyl (2R)-3-methyl-2-(propan-2-ylamino)butanoate
CID 59435909
propan-2-yl 5-oxo-2-(propan-2-ylamino)hexanoate
CID 161057043
dipropan-2-yl 2-aminopropanedioate
CID 141226348
propan-2-yl (2S)-2-aminopropanoate
CID 13089460
propan-2-yl 2-aminopropanoate
CID 11804791
propan-2-yl (2S)-2-(iodoamino)propanoate
CID 122534209
5-[[(2S)-3-methyl-1-oxo-1-propan-2-yloxybutan-2-yl]amino]hexan-2-yl 4-methyl-2-(propan-2-ylamino)pentanoate
CID 126704364
propan-2-yl (2R)-2-acetamidopropanoate
CID 165357542
1-O,1-O-diethyl 2-O-propan-2-yl 2-acetamidoethane-1,1,2-tricarboxylate
CID 102516667

Frequently Asked Questions

What is the IUPAC name of dipropan-2-yl 2,3-bis(propan-2-ylamino)butanedioate?
The IUPAC name of dipropan-2-yl 2,3-bis(propan-2-ylamino)butanedioate (CID 101067350) is dipropan-2-yl 2,3-bis(propan-2-ylamino)butanedioate.
What is the SMILES notation for dipropan-2-yl 2,3-bis(propan-2-ylamino)butanedioate?
The canonical SMILES for dipropan-2-yl 2,3-bis(propan-2-ylamino)butanedioate is CC(C)NC(C(=O)OC(C)C)C(NC(C)C)C(=O)OC(C)C.
What is the InChIKey of dipropan-2-yl 2,3-bis(propan-2-ylamino)butanedioate?
The InChIKey is BYSMLDQGZFWLBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O4/c1-9(2)17-13(15(19)21-11(5)6)14(18-10(3)4)16(20)22-12(7)8/h9-14,17-18H,1-8H3.
What are the key properties of dipropan-2-yl 2,3-bis(propan-2-ylamino)butanedioate?
dipropan-2-yl 2,3-bis(propan-2-ylamino)butanedioate has a molecular weight of 316.44 g/mol, XLogP of 1.62, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dipropan-2-yl 2,3-bis(propan-2-ylamino)butanedioate is sourced from PubChem (CID 101067350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).