methyl 2-[2,3-bis(methylamino)propanoylamino]-3-(methylamino)propanoate

C10H22N4O3 — CID 58669432

IUPACmethyl 2-[2,3-bis(methylamino)propanoylamino]-3-(methylamino)propanoate
SMILESCNCC(NC)C(=O)NC(CNC)C(=O)OC
InChIInChI=1S/C10H22N4O3/c1-11-5-7(13-3)9(15)14-8(6-12-2)10(16)17-4/h7-8,11-13H,5-6H2,1-4H3,(H,14,15)
InChIKeyAYDHACNRBISFSG-UHFFFAOYSA-N
MW246.31 g/mol
LogP-2.33
Rot. Bonds8

About methyl 2-[2,3-bis(methylamino)propanoylamino]-3-(methylamino)propanoate

methyl 2-[2,3-bis(methylamino)propanoylamino]-3-(methylamino)propanoate (PubChem CID 58669432) has the molecular formula C10H22N4O3 and a molecular weight of 246.31 g/mol. Its IUPAC name is methyl 2-[2,3-bis(methylamino)propanoylamino]-3-(methylamino)propanoate.

Molecular Properties

Compound Namemethyl 2-[2,3-bis(methylamino)propanoylamino]-3-(methylamino)propanoate
PubChem CID58669432
Molecular FormulaC10H22N4O3
Molecular Weight246.31 g/mol
Exact Mass246.17
IUPAC Namemethyl 2-[2,3-bis(methylamino)propanoylamino]-3-(methylamino)propanoate
SMILESCNCC(NC)C(=O)NC(CNC)C(=O)OC
InChIInChI=1S/C10H22N4O3/c1-11-5-7(13-3)9(15)14-8(6-12-2)10(16)17-4/h7-8,11-13H,5-6H2,1-4H3,(H,14,15)
InChIKeyAYDHACNRBISFSG-UHFFFAOYSA-N
XLogP-2.33
TPSA91.49 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 5-2.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

CID 88890961
CID 88890961
ethane;methyl 3-amino-2-(methylamino)propanoate
CID 142001160
methyl 2-[2,6-bis(methylamino)hexanoylamino]-9,13-bis(methylamino)-8-oxotridecanoate
CID 157301898
methyl (2R)-4-amino-2-(methylamino)-4-oxobutanoate
CID 174668747
tert-butyl 2,3-bis(methylamino)propanoate
CID 87548919
ethene;methyl 2-(methylamino)-4-oxobutanoate
CID 158257207
methyl N-[1,3-bis(methylamino)-1-oxopropan-2-yl]carbamate
CID 59975039
2-methyl-3-(methylamino)-N-propan-2-ylpropanamide
CID 79196226
methyl 2-hydroxy-3-(methylamino)propanoate
CID 86646378
3-amino-N-methyl-2-(methylamino)propanamide;2,3-bis(methylamino)propanoic acid;N-methyl-2,3-bis(methylamino)propanamide
CID 162000379
methyl (2S)-4-methyl-2-(methylamino)pentanoate;hydrochloride
CID 75487996
methyl 4,4-dimethyl-2-(methylamino)pentanoate
CID 62949491

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2,3-bis(methylamino)propanoylamino]-3-(methylamino)propanoate?
The IUPAC name of methyl 2-[2,3-bis(methylamino)propanoylamino]-3-(methylamino)propanoate (CID 58669432) is methyl 2-[2,3-bis(methylamino)propanoylamino]-3-(methylamino)propanoate.
What is the SMILES notation for methyl 2-[2,3-bis(methylamino)propanoylamino]-3-(methylamino)propanoate?
The canonical SMILES for methyl 2-[2,3-bis(methylamino)propanoylamino]-3-(methylamino)propanoate is CNCC(NC)C(=O)NC(CNC)C(=O)OC.
What is the InChIKey of methyl 2-[2,3-bis(methylamino)propanoylamino]-3-(methylamino)propanoate?
The InChIKey is AYDHACNRBISFSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N4O3/c1-11-5-7(13-3)9(15)14-8(6-12-2)10(16)17-4/h7-8,11-13H,5-6H2,1-4H3,(H,14,15).
What are the key properties of methyl 2-[2,3-bis(methylamino)propanoylamino]-3-(methylamino)propanoate?
methyl 2-[2,3-bis(methylamino)propanoylamino]-3-(methylamino)propanoate has a molecular weight of 246.31 g/mol, XLogP of -2.33, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2,3-bis(methylamino)propanoylamino]-3-(methylamino)propanoate is sourced from PubChem (CID 58669432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).