4-[bis(2-amino-2-oxoethyl)carbamoylamino]-4-methylpentanoic acid

C11H20N4O5 — CID 62921763

IUPAC4-[bis(2-amino-2-oxoethyl)carbamoylamino]-4-methylpentanoic acid
SMILESCC(C)(CCC(=O)O)NC(=O)N(CC(N)=O)CC(N)=O
InChIInChI=1S/C11H20N4O5/c1-11(2,4-3-9(18)19)14-10(20)15(5-7(12)16)6-8(13)17/h3-6H2,1-2H3,(H2,12,16)(H2,13,17)(H,14,20)(H,18,19)
InChIKeyVCCBSSWBMJGBFL-UHFFFAOYSA-N
MW288.30 g/mol
LogP-1.39
Rot. Bonds8

About 4-[bis(2-amino-2-oxoethyl)carbamoylamino]-4-methylpentanoic acid

4-[bis(2-amino-2-oxoethyl)carbamoylamino]-4-methylpentanoic acid (PubChem CID 62921763) has the molecular formula C11H20N4O5 and a molecular weight of 288.30 g/mol. Its IUPAC name is 4-[bis(2-amino-2-oxoethyl)carbamoylamino]-4-methylpentanoic acid.

Molecular Properties

Compound Name4-[bis(2-amino-2-oxoethyl)carbamoylamino]-4-methylpentanoic acid
PubChem CID62921763
Molecular FormulaC11H20N4O5
Molecular Weight288.30 g/mol
Exact Mass288.14
IUPAC Name4-[bis(2-amino-2-oxoethyl)carbamoylamino]-4-methylpentanoic acid
SMILESCC(C)(CCC(=O)O)NC(=O)N(CC(N)=O)CC(N)=O
InChIInChI=1S/C11H20N4O5/c1-11(2,4-3-9(18)19)14-10(20)15(5-7(12)16)6-8(13)17/h3-6H2,1-2H3,(H2,12,16)(H2,13,17)(H,14,20)(H,18,19)
InChIKeyVCCBSSWBMJGBFL-UHFFFAOYSA-N
XLogP-1.39
TPSA155.82 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 5-1.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[bis(2-amino-2-oxoethyl)carbamoylamino]-4-methylpentanoic acid?
The IUPAC name of 4-[bis(2-amino-2-oxoethyl)carbamoylamino]-4-methylpentanoic acid (CID 62921763) is 4-[bis(2-amino-2-oxoethyl)carbamoylamino]-4-methylpentanoic acid.
What is the SMILES notation for 4-[bis(2-amino-2-oxoethyl)carbamoylamino]-4-methylpentanoic acid?
The canonical SMILES for 4-[bis(2-amino-2-oxoethyl)carbamoylamino]-4-methylpentanoic acid is CC(C)(CCC(=O)O)NC(=O)N(CC(N)=O)CC(N)=O.
What is the InChIKey of 4-[bis(2-amino-2-oxoethyl)carbamoylamino]-4-methylpentanoic acid?
The InChIKey is VCCBSSWBMJGBFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O5/c1-11(2,4-3-9(18)19)14-10(20)15(5-7(12)16)6-8(13)17/h3-6H2,1-2H3,(H2,12,16)(H2,13,17)(H,14,20)(H,18,19).
What are the key properties of 4-[bis(2-amino-2-oxoethyl)carbamoylamino]-4-methylpentanoic acid?
4-[bis(2-amino-2-oxoethyl)carbamoylamino]-4-methylpentanoic acid has a molecular weight of 288.30 g/mol, XLogP of -1.39, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bis(2-amino-2-oxoethyl)carbamoylamino]-4-methylpentanoic acid is sourced from PubChem (CID 62921763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).