2-[[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl]-(2-methylpropyl)amino]acetic acid

C14H27N3O4 — CID 63065230

IUPAC2-[[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl]-(2-methylpropyl)amino]acetic acid
SMILESCCCNC(=O)CN(C)C(=O)CN(CC(=O)O)CC(C)C
InChIInChI=1S/C14H27N3O4/c1-5-6-15-12(18)8-16(4)13(19)9-17(7-11(2)3)10-14(20)21/h11H,5-10H2,1-4H3,(H,15,18)(H,20,21)
InChIKeyVUICOKJOIIENAB-UHFFFAOYSA-N
MW301.39 g/mol
LogP0.01
Rot. Bonds10

About 2-[[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl]-(2-methylpropyl)amino]acetic acid

2-[[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl]-(2-methylpropyl)amino]acetic acid (PubChem CID 63065230) has the molecular formula C14H27N3O4 and a molecular weight of 301.39 g/mol. Its IUPAC name is 2-[[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl]-(2-methylpropyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl]-(2-methylpropyl)amino]acetic acid
PubChem CID63065230
Molecular FormulaC14H27N3O4
Molecular Weight301.39 g/mol
Exact Mass301.20
IUPAC Name2-[[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl]-(2-methylpropyl)amino]acetic acid
SMILESCCCNC(=O)CN(C)C(=O)CN(CC(=O)O)CC(C)C
InChIInChI=1S/C14H27N3O4/c1-5-6-15-12(18)8-16(4)13(19)9-17(7-11(2)3)10-14(20)21/h11H,5-10H2,1-4H3,(H,15,18)(H,20,21)
InChIKeyVUICOKJOIIENAB-UHFFFAOYSA-N
XLogP0.01
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-amino-2-oxoethyl)-[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl]amino]acetic acid
CID 107440194
2-[[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl]-prop-2-ynylamino]acetic acid
CID 79272997
2-[[methyl-[2-oxo-2-(propylamino)ethyl]carbamoyl]-(2-methylpropyl)amino]acetic acid
CID 63065970
2-[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl]sulfanylacetic acid
CID 43238259
methyl 2-[[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl]-propan-2-ylamino]acetate
CID 62026833
2-[2-methylpropyl-[2-oxo-2-(2-phenylethylamino)ethyl]amino]acetic acid
CID 63064671
3-[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl]sulfanylpropanoic acid
CID 43238288
2-[ethyl(2-methylpropyl)amino]acetic acid
CID 43273893
N-butyl-2-[methyl-[2-[methyl-[2-[methyl(propan-2-yl)amino]acetyl]amino]acetyl]amino]acetamide
CID 177167159
3-[[2-(ethylamino)-2-oxoethyl]-methylamino]-3-oxopropanoic acid
CID 62230429
3-[ethyl-[2-oxo-2-(propylamino)ethyl]amino]-2-methylpropanoic acid
CID 62852615
2-[(2-amino-2-oxoethyl)-[methyl-[2-oxo-2-(propylamino)ethyl]carbamoyl]amino]acetic acid
CID 107438233

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl]-(2-methylpropyl)amino]acetic acid?
The IUPAC name of 2-[[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl]-(2-methylpropyl)amino]acetic acid (CID 63065230) is 2-[[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl]-(2-methylpropyl)amino]acetic acid.
What is the SMILES notation for 2-[[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl]-(2-methylpropyl)amino]acetic acid?
The canonical SMILES for 2-[[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl]-(2-methylpropyl)amino]acetic acid is CCCNC(=O)CN(C)C(=O)CN(CC(=O)O)CC(C)C.
What is the InChIKey of 2-[[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl]-(2-methylpropyl)amino]acetic acid?
The InChIKey is VUICOKJOIIENAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O4/c1-5-6-15-12(18)8-16(4)13(19)9-17(7-11(2)3)10-14(20)21/h11H,5-10H2,1-4H3,(H,15,18)(H,20,21).
What are the key properties of 2-[[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl]-(2-methylpropyl)amino]acetic acid?
2-[[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl]-(2-methylpropyl)amino]acetic acid has a molecular weight of 301.39 g/mol, XLogP of 0.01, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl]-(2-methylpropyl)amino]acetic acid is sourced from PubChem (CID 63065230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).