2-[(2-aminoethylcarbamoylamino)methyl]-4,4-dimethylpentanoic acid

C11H23N3O3 — CID 107474087

IUPAC2-[(2-aminoethylcarbamoylamino)methyl]-4,4-dimethylpentanoic acid
SMILESCC(C)(C)CC(CNC(=O)NCCN)C(=O)O
InChIInChI=1S/C11H23N3O3/c1-11(2,3)6-8(9(15)16)7-14-10(17)13-5-4-12/h8H,4-7,12H2,1-3H3,(H,15,16)(H2,13,14,17)
InChIKeyCADNUBRPYOFCHZ-UHFFFAOYSA-N
MW245.32 g/mol
LogP0.38
Rot. Bonds6

About 2-[(2-aminoethylcarbamoylamino)methyl]-4,4-dimethylpentanoic acid

2-[(2-aminoethylcarbamoylamino)methyl]-4,4-dimethylpentanoic acid (PubChem CID 107474087) has the molecular formula C11H23N3O3 and a molecular weight of 245.32 g/mol. Its IUPAC name is 2-[(2-aminoethylcarbamoylamino)methyl]-4,4-dimethylpentanoic acid.

Molecular Properties

Compound Name2-[(2-aminoethylcarbamoylamino)methyl]-4,4-dimethylpentanoic acid
PubChem CID107474087
Molecular FormulaC11H23N3O3
Molecular Weight245.32 g/mol
Exact Mass245.17
IUPAC Name2-[(2-aminoethylcarbamoylamino)methyl]-4,4-dimethylpentanoic acid
SMILESCC(C)(C)CC(CNC(=O)NCCN)C(=O)O
InChIInChI=1S/C11H23N3O3/c1-11(2,3)6-8(9(15)16)7-14-10(17)13-5-4-12/h8H,4-7,12H2,1-3H3,(H,15,16)(H2,13,14,17)
InChIKeyCADNUBRPYOFCHZ-UHFFFAOYSA-N
XLogP0.38
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 50.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(5-amino-5-oxopentyl)carbamoylamino]methyl]-4,4-dimethylpentanoic acid
CID 106238825
2-[(2-aminoethylcarbamoylamino)methyl]pentanoic acid
CID 65223138
2-[(2-methoxyethylcarbamoylamino)methyl]-4,4-dimethylpentanoic acid
CID 107473771
2-[[2-[ethyl(methyl)amino]ethylcarbamoylamino]methyl]-4,4-dimethylpentanoic acid
CID 107474332
4,4-dimethyl-2-[(2-methylsulfonylethylcarbamoylamino)methyl]pentanoic acid
CID 107474064
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-[(2,2-dimethylpropanoylamino)methyl]-4,4-dimethylpentanoic acid
CID 107473759
2-[[(2-amino-4-methylpentanoyl)amino]methyl]-4,4-dimethylpentanoic acid
CID 107475476
2-[[2-(aminomethyl)butanoylamino]methyl]-4,4-dimethylpentanoic acid
CID 107475516
2-[[(2-ethoxy-2-methylpropyl)carbamoylamino]methyl]-4,4-dimethylpentanoic acid
CID 107474753
2-[(cyclopentylmethylcarbamoylamino)methyl]-4,4-dimethylpentanoic acid
CID 107473976

Frequently Asked Questions

What is the IUPAC name of 2-[(2-aminoethylcarbamoylamino)methyl]-4,4-dimethylpentanoic acid?
The IUPAC name of 2-[(2-aminoethylcarbamoylamino)methyl]-4,4-dimethylpentanoic acid (CID 107474087) is 2-[(2-aminoethylcarbamoylamino)methyl]-4,4-dimethylpentanoic acid.
What is the SMILES notation for 2-[(2-aminoethylcarbamoylamino)methyl]-4,4-dimethylpentanoic acid?
The canonical SMILES for 2-[(2-aminoethylcarbamoylamino)methyl]-4,4-dimethylpentanoic acid is CC(C)(C)CC(CNC(=O)NCCN)C(=O)O.
What is the InChIKey of 2-[(2-aminoethylcarbamoylamino)methyl]-4,4-dimethylpentanoic acid?
The InChIKey is CADNUBRPYOFCHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O3/c1-11(2,3)6-8(9(15)16)7-14-10(17)13-5-4-12/h8H,4-7,12H2,1-3H3,(H,15,16)(H2,13,14,17).
What are the key properties of 2-[(2-aminoethylcarbamoylamino)methyl]-4,4-dimethylpentanoic acid?
2-[(2-aminoethylcarbamoylamino)methyl]-4,4-dimethylpentanoic acid has a molecular weight of 245.32 g/mol, XLogP of 0.38, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-aminoethylcarbamoylamino)methyl]-4,4-dimethylpentanoic acid is sourced from PubChem (CID 107474087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).