2-[[2-(carbamoylamino)ethylcarbamoylamino]methyl]-4-methylpentanoic acid

C11H22N4O4 — CID 83113400

IUPAC2-[[2-(carbamoylamino)ethylcarbamoylamino]methyl]-4-methylpentanoic acid
SMILESCC(C)CC(CNC(=O)NCCNC(N)=O)C(=O)O
InChIInChI=1S/C11H22N4O4/c1-7(2)5-8(9(16)17)6-15-11(19)14-4-3-13-10(12)18/h7-8H,3-6H2,1-2H3,(H,16,17)(H3,12,13,18)(H2,14,15,19)
InChIKeyARRXLBDTMNTIGF-UHFFFAOYSA-N
MW274.32 g/mol
LogP-0.30
Rot. Bonds8

About 2-[[2-(carbamoylamino)ethylcarbamoylamino]methyl]-4-methylpentanoic acid

2-[[2-(carbamoylamino)ethylcarbamoylamino]methyl]-4-methylpentanoic acid (PubChem CID 83113400) has the molecular formula C11H22N4O4 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-[[2-(carbamoylamino)ethylcarbamoylamino]methyl]-4-methylpentanoic acid.

Molecular Properties

Compound Name2-[[2-(carbamoylamino)ethylcarbamoylamino]methyl]-4-methylpentanoic acid
PubChem CID83113400
Molecular FormulaC11H22N4O4
Molecular Weight274.32 g/mol
Exact Mass274.16
IUPAC Name2-[[2-(carbamoylamino)ethylcarbamoylamino]methyl]-4-methylpentanoic acid
SMILESCC(C)CC(CNC(=O)NCCNC(N)=O)C(=O)O
InChIInChI=1S/C11H22N4O4/c1-7(2)5-8(9(16)17)6-15-11(19)14-4-3-13-10(12)18/h7-8H,3-6H2,1-2H3,(H,16,17)(H3,12,13,18)(H2,14,15,19)
InChIKeyARRXLBDTMNTIGF-UHFFFAOYSA-N
XLogP-0.30
TPSA133.55 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 5-0.30
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-methyl-2-[(3-methylsulfinylpropylcarbamoylamino)methyl]pentanoic acid
CID 113488013
4-methyl-2-[(2,3,3-trimethylbutylcarbamoylamino)methyl]pentanoic acid
CID 83143719
(2S)-3-[2-(carbamoylamino)ethylcarbamoylamino]-2-hydroxypropanoic acid
CID 107840831
2-[(2-but-3-enoxyethylcarbamoylamino)methyl]-4-methylpentanoic acid
CID 106404779
2-[(2-ethylhexylcarbamoylamino)methyl]-4-methylpentanoic acid
CID 107817347
2-[[2-(5-bromothiophen-2-yl)ethylcarbamoylamino]methyl]-4-methylpentanoic acid
CID 106040584
1-[2-(carbamoylamino)ethyl]-3-propan-2-ylurea
CID 116657505
4-methyl-2-[(3-methylbutylamino)methyl]pentanoic acid
CID 122127985
2-[(2-aminoethylcarbamoylamino)methyl]pentanoic acid
CID 65223138
2-[[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoylamino]methyl]-4-methylpentanoic acid
CID 106303642
2-[[(3-carbamoyl-4-chlorophenyl)carbamoylamino]methyl]-4-methylpentanoic acid
CID 122126467
2-[(2-aminoethylcarbamoylamino)methyl]-4,4-dimethylpentanoic acid
CID 107474087

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(carbamoylamino)ethylcarbamoylamino]methyl]-4-methylpentanoic acid?
The IUPAC name of 2-[[2-(carbamoylamino)ethylcarbamoylamino]methyl]-4-methylpentanoic acid (CID 83113400) is 2-[[2-(carbamoylamino)ethylcarbamoylamino]methyl]-4-methylpentanoic acid.
What is the SMILES notation for 2-[[2-(carbamoylamino)ethylcarbamoylamino]methyl]-4-methylpentanoic acid?
The canonical SMILES for 2-[[2-(carbamoylamino)ethylcarbamoylamino]methyl]-4-methylpentanoic acid is CC(C)CC(CNC(=O)NCCNC(N)=O)C(=O)O.
What is the InChIKey of 2-[[2-(carbamoylamino)ethylcarbamoylamino]methyl]-4-methylpentanoic acid?
The InChIKey is ARRXLBDTMNTIGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O4/c1-7(2)5-8(9(16)17)6-15-11(19)14-4-3-13-10(12)18/h7-8H,3-6H2,1-2H3,(H,16,17)(H3,12,13,18)(H2,14,15,19).
What are the key properties of 2-[[2-(carbamoylamino)ethylcarbamoylamino]methyl]-4-methylpentanoic acid?
2-[[2-(carbamoylamino)ethylcarbamoylamino]methyl]-4-methylpentanoic acid has a molecular weight of 274.32 g/mol, XLogP of -0.30, 8 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(carbamoylamino)ethylcarbamoylamino]methyl]-4-methylpentanoic acid is sourced from PubChem (CID 83113400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).