2-[[5-(diethylamino)-5-oxopentanoyl]-(2-methylpropyl)amino]acetic acid

C15H28N2O4 — CID 119193017

IUPAC2-[[5-(diethylamino)-5-oxopentanoyl]-(2-methylpropyl)amino]acetic acid
SMILESCCN(CC)C(=O)CCCC(=O)N(CC(=O)O)CC(C)C
InChIInChI=1S/C15H28N2O4/c1-5-16(6-2)13(18)8-7-9-14(19)17(10-12(3)4)11-15(20)21/h12H,5-11H2,1-4H3,(H,20,21)
InChIKeyYVNODXBMUZYBRD-UHFFFAOYSA-N
MW300.40 g/mol
LogP1.59
Rot. Bonds10

About 2-[[5-(diethylamino)-5-oxopentanoyl]-(2-methylpropyl)amino]acetic acid

2-[[5-(diethylamino)-5-oxopentanoyl]-(2-methylpropyl)amino]acetic acid (PubChem CID 119193017) has the molecular formula C15H28N2O4 and a molecular weight of 300.40 g/mol. Its IUPAC name is 2-[[5-(diethylamino)-5-oxopentanoyl]-(2-methylpropyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[5-(diethylamino)-5-oxopentanoyl]-(2-methylpropyl)amino]acetic acid
PubChem CID119193017
Molecular FormulaC15H28N2O4
Molecular Weight300.40 g/mol
Exact Mass300.20
IUPAC Name2-[[5-(diethylamino)-5-oxopentanoyl]-(2-methylpropyl)amino]acetic acid
SMILESCCN(CC)C(=O)CCCC(=O)N(CC(=O)O)CC(C)C
InChIInChI=1S/C15H28N2O4/c1-5-16(6-2)13(18)8-7-9-14(19)17(10-12(3)4)11-15(20)21/h12H,5-11H2,1-4H3,(H,20,21)
InChIKeyYVNODXBMUZYBRD-UHFFFAOYSA-N
XLogP1.59
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-methylpropyl(octanoyl)amino]acetic acid
CID 62032998
2-[2-methylpropyl-[5-oxo-5-(propan-2-ylamino)pentanoyl]amino]acetic acid
CID 119193019
2-[2-methylpropyl(4-methylsulfanylbutanoyl)amino]acetic acid
CID 115909757
2-[2-methylpropyl-[4-(propan-2-ylamino)butanoyl]amino]acetic acid
CID 63064871
2-[ethyl(pentadecanoyl)amino]acetic acid
CID 139609701
2-[ethyl(hexadecanoyl)amino]acetic acid
CID 86170642
2-[3-methylbutanoyl(2-methylpropyl)amino]acetic acid
CID 62033717
2-[2-methylpropyl(4-phenoxybutanoyl)amino]acetic acid
CID 62033173
12-(diethylamino)-12-oxododecanoic acid
CID 19794003
N-ethyl-N-(2-methylpropyl)propanamide
CID 54345595
3-[2-methylpropyl(pentanoyl)amino]propanoic acid
CID 82323488
2-[4-(cyclopropanecarbonylamino)butanoyl-(2-methylpropyl)amino]acetic acid
CID 119193420

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(diethylamino)-5-oxopentanoyl]-(2-methylpropyl)amino]acetic acid?
The IUPAC name of 2-[[5-(diethylamino)-5-oxopentanoyl]-(2-methylpropyl)amino]acetic acid (CID 119193017) is 2-[[5-(diethylamino)-5-oxopentanoyl]-(2-methylpropyl)amino]acetic acid.
What is the SMILES notation for 2-[[5-(diethylamino)-5-oxopentanoyl]-(2-methylpropyl)amino]acetic acid?
The canonical SMILES for 2-[[5-(diethylamino)-5-oxopentanoyl]-(2-methylpropyl)amino]acetic acid is CCN(CC)C(=O)CCCC(=O)N(CC(=O)O)CC(C)C.
What is the InChIKey of 2-[[5-(diethylamino)-5-oxopentanoyl]-(2-methylpropyl)amino]acetic acid?
The InChIKey is YVNODXBMUZYBRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O4/c1-5-16(6-2)13(18)8-7-9-14(19)17(10-12(3)4)11-15(20)21/h12H,5-11H2,1-4H3,(H,20,21).
What are the key properties of 2-[[5-(diethylamino)-5-oxopentanoyl]-(2-methylpropyl)amino]acetic acid?
2-[[5-(diethylamino)-5-oxopentanoyl]-(2-methylpropyl)amino]acetic acid has a molecular weight of 300.40 g/mol, XLogP of 1.59, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(diethylamino)-5-oxopentanoyl]-(2-methylpropyl)amino]acetic acid is sourced from PubChem (CID 119193017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).