2-[bis[2-(dipropylamino)-2-oxoethyl]amino]acetic acid

C18H35N3O4 — CID 138501380

IUPAC2-[bis[2-(dipropylamino)-2-oxoethyl]amino]acetic acid
SMILESCCCN(CCC)C(=O)CN(CC(=O)O)CC(=O)N(CCC)CCC
InChIInChI=1S/C18H35N3O4/c1-5-9-20(10-6-2)16(22)13-19(15-18(24)25)14-17(23)21(11-7-3)12-8-4/h5-15H2,1-4H3,(H,24,25)
InChIKeyBUCDNDDTKWRFIX-UHFFFAOYSA-N
MW357.50 g/mol
LogP1.67
Rot. Bonds14

About 2-[bis[2-(dipropylamino)-2-oxoethyl]amino]acetic acid

2-[bis[2-(dipropylamino)-2-oxoethyl]amino]acetic acid (PubChem CID 138501380) has the molecular formula C18H35N3O4 and a molecular weight of 357.50 g/mol. Its IUPAC name is 2-[bis[2-(dipropylamino)-2-oxoethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[bis[2-(dipropylamino)-2-oxoethyl]amino]acetic acid
PubChem CID138501380
Molecular FormulaC18H35N3O4
Molecular Weight357.50 g/mol
Exact Mass357.26
IUPAC Name2-[bis[2-(dipropylamino)-2-oxoethyl]amino]acetic acid
SMILESCCCN(CCC)C(=O)CN(CC(=O)O)CC(=O)N(CCC)CCC
InChIInChI=1S/C18H35N3O4/c1-5-9-20(10-6-2)16(22)13-19(15-18(24)25)14-17(23)21(11-7-3)12-8-4/h5-15H2,1-4H3,(H,24,25)
InChIKeyBUCDNDDTKWRFIX-UHFFFAOYSA-N
XLogP1.67
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[carboxymethyl-[2-(dipropylamino)-2-oxoethyl]amino]propanoic acid
CID 82327106
2-[2-[[2-[bis(2-hydroxyethyl)amino]-2-oxoethyl]-(carboxymethyl)amino]ethyl-[2-[carboxymethyl-[2-[2-hydroxyethyl(propyl)amino]-2-oxoethyl]amino]ethyl]amino]acetic acid
CID 59126070
2-[2-[bis(carboxymethyl)amino]ethyl-[2-[carboxymethyl-[2-(dibutylamino)-2-oxoethyl]amino]ethyl]amino]acetic acid
CID 10278870
2-[[4-(dipropylamino)-4-oxobutanoyl]-ethylamino]acetic acid
CID 119206224
ethane;2-[ethyl(propyl)amino]acetic acid
CID 143677754
2-[2-(dipropylamino)ethyl-propylamino]acetic acid
CID 155392910
3-[[2-(dipropylamino)-2-oxoethyl]-propylamino]-2-methylpropanoic acid
CID 82327114
2-[acetyl(propyl)amino]acetic acid
CID 23279438
2-[[2-[bis(2-methylpropyl)amino]-2-oxoethyl]-(carboxymethyl)amino]acetic acid
CID 63645438
2-[bis(carboxymethyl)amino]acetic acid
CID 22440005
2-[bis[2-[bis(2-ethylhexyl)amino]-2-oxoethyl]amino]acetic acid
CID 138501386
2-[bis(carboxymethyl)amino]acetic acid;N,N-dimethylmethanamine
CID 88838366

Frequently Asked Questions

What is the IUPAC name of 2-[bis[2-(dipropylamino)-2-oxoethyl]amino]acetic acid?
The IUPAC name of 2-[bis[2-(dipropylamino)-2-oxoethyl]amino]acetic acid (CID 138501380) is 2-[bis[2-(dipropylamino)-2-oxoethyl]amino]acetic acid.
What is the SMILES notation for 2-[bis[2-(dipropylamino)-2-oxoethyl]amino]acetic acid?
The canonical SMILES for 2-[bis[2-(dipropylamino)-2-oxoethyl]amino]acetic acid is CCCN(CCC)C(=O)CN(CC(=O)O)CC(=O)N(CCC)CCC.
What is the InChIKey of 2-[bis[2-(dipropylamino)-2-oxoethyl]amino]acetic acid?
The InChIKey is BUCDNDDTKWRFIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3O4/c1-5-9-20(10-6-2)16(22)13-19(15-18(24)25)14-17(23)21(11-7-3)12-8-4/h5-15H2,1-4H3,(H,24,25).
What are the key properties of 2-[bis[2-(dipropylamino)-2-oxoethyl]amino]acetic acid?
2-[bis[2-(dipropylamino)-2-oxoethyl]amino]acetic acid has a molecular weight of 357.50 g/mol, XLogP of 1.67, 14 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis[2-(dipropylamino)-2-oxoethyl]amino]acetic acid is sourced from PubChem (CID 138501380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).