2-[[2-[ethyl(methyl)amino]ethylcarbamoylamino]methyl]-4,4-dimethylpentanoic acid

C14H29N3O3 — CID 107474332

IUPAC2-[[2-[ethyl(methyl)amino]ethylcarbamoylamino]methyl]-4,4-dimethylpentanoic acid
SMILESCCN(C)CCNC(=O)NCC(CC(C)(C)C)C(=O)O
InChIInChI=1S/C14H29N3O3/c1-6-17(5)8-7-15-13(20)16-10-11(12(18)19)9-14(2,3)4/h11H,6-10H2,1-5H3,(H,18,19)(H2,15,16,20)
InChIKeyZCXABVIWLCBCDB-UHFFFAOYSA-N
MW287.40 g/mol
LogP1.37
Rot. Bonds8

About 2-[[2-[ethyl(methyl)amino]ethylcarbamoylamino]methyl]-4,4-dimethylpentanoic acid

2-[[2-[ethyl(methyl)amino]ethylcarbamoylamino]methyl]-4,4-dimethylpentanoic acid (PubChem CID 107474332) has the molecular formula C14H29N3O3 and a molecular weight of 287.40 g/mol. Its IUPAC name is 2-[[2-[ethyl(methyl)amino]ethylcarbamoylamino]methyl]-4,4-dimethylpentanoic acid.

Molecular Properties

Compound Name2-[[2-[ethyl(methyl)amino]ethylcarbamoylamino]methyl]-4,4-dimethylpentanoic acid
PubChem CID107474332
Molecular FormulaC14H29N3O3
Molecular Weight287.40 g/mol
Exact Mass287.22
IUPAC Name2-[[2-[ethyl(methyl)amino]ethylcarbamoylamino]methyl]-4,4-dimethylpentanoic acid
SMILESCCN(C)CCNC(=O)NCC(CC(C)(C)C)C(=O)O
InChIInChI=1S/C14H29N3O3/c1-6-17(5)8-7-15-13(20)16-10-11(12(18)19)9-14(2,3)4/h11H,6-10H2,1-5H3,(H,18,19)(H2,15,16,20)
InChIKeyZCXABVIWLCBCDB-UHFFFAOYSA-N
XLogP1.37
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[[2-[ethyl(methyl)amino]ethylcarbamoylamino]methyl]-4,4-dimethylpentanoic acid with MolForge

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Related Compounds

2-[(2-aminoethylcarbamoylamino)methyl]-4,4-dimethylpentanoic acid
CID 107474087
2-[(2-methoxyethylcarbamoylamino)methyl]-4,4-dimethylpentanoic acid
CID 107473771
4,4-dimethyl-2-[(2-methylsulfonylethylcarbamoylamino)methyl]pentanoic acid
CID 107474064
2-[[(5-amino-5-oxopentyl)carbamoylamino]methyl]-4,4-dimethylpentanoic acid
CID 106238825
1-ethyl-3-[2-[ethyl(methyl)amino]ethyl]urea
CID 115595346
1-[2-[ethyl(methyl)amino]ethyl]-3-(4-hydroxy-2,2-dimethylpentyl)urea
CID 111505352
2-[[2-[2-methoxyethyl(methyl)amino]ethylcarbamoylamino]methyl]pentanoic acid
CID 65221921
4,4-dimethyl-2-[(2-methylbutan-2-ylcarbamoylamino)methyl]pentanoic acid
CID 107473764
4,4-dimethyl-2-[(3-methylpentan-3-ylcarbamoylamino)methyl]pentanoic acid
CID 106330622
2-[[(2-ethoxy-2-methylpropyl)carbamoylamino]methyl]-4,4-dimethylpentanoic acid
CID 107474753
2-[[[ethyl(2-hydroxyethyl)carbamoyl]amino]methyl]-4,4-dimethylpentanoic acid
CID 107474068
(2S)-2-[2-[ethyl(methyl)amino]ethylcarbamoylamino]pentanoic acid
CID 107566847

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[ethyl(methyl)amino]ethylcarbamoylamino]methyl]-4,4-dimethylpentanoic acid?
The IUPAC name of 2-[[2-[ethyl(methyl)amino]ethylcarbamoylamino]methyl]-4,4-dimethylpentanoic acid (CID 107474332) is 2-[[2-[ethyl(methyl)amino]ethylcarbamoylamino]methyl]-4,4-dimethylpentanoic acid.
What is the SMILES notation for 2-[[2-[ethyl(methyl)amino]ethylcarbamoylamino]methyl]-4,4-dimethylpentanoic acid?
The canonical SMILES for 2-[[2-[ethyl(methyl)amino]ethylcarbamoylamino]methyl]-4,4-dimethylpentanoic acid is CCN(C)CCNC(=O)NCC(CC(C)(C)C)C(=O)O.
What is the InChIKey of 2-[[2-[ethyl(methyl)amino]ethylcarbamoylamino]methyl]-4,4-dimethylpentanoic acid?
The InChIKey is ZCXABVIWLCBCDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O3/c1-6-17(5)8-7-15-13(20)16-10-11(12(18)19)9-14(2,3)4/h11H,6-10H2,1-5H3,(H,18,19)(H2,15,16,20).
What are the key properties of 2-[[2-[ethyl(methyl)amino]ethylcarbamoylamino]methyl]-4,4-dimethylpentanoic acid?
2-[[2-[ethyl(methyl)amino]ethylcarbamoylamino]methyl]-4,4-dimethylpentanoic acid has a molecular weight of 287.40 g/mol, XLogP of 1.37, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[ethyl(methyl)amino]ethylcarbamoylamino]methyl]-4,4-dimethylpentanoic acid is sourced from PubChem (CID 107474332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).