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

C11H20N4O5 — CID 82013638

IUPAC5-[bis(2-amino-2-oxoethyl)carbamoylamino]-4-methylpentanoic acid
SMILESCC(CCC(=O)O)CNC(=O)N(CC(N)=O)CC(N)=O
InChIInChI=1S/C11H20N4O5/c1-7(2-3-10(18)19)4-14-11(20)15(5-8(12)16)6-9(13)17/h7H,2-6H2,1H3,(H2,12,16)(H2,13,17)(H,14,20)(H,18,19)
InChIKeyYQXKBOGZPDANMF-UHFFFAOYSA-N
MW288.30 g/mol
LogP-1.53
Rot. Bonds9

About 5-[bis(2-amino-2-oxoethyl)carbamoylamino]-4-methylpentanoic acid

5-[bis(2-amino-2-oxoethyl)carbamoylamino]-4-methylpentanoic acid (PubChem CID 82013638) has the molecular formula C11H20N4O5 and a molecular weight of 288.30 g/mol. Its IUPAC name is 5-[bis(2-amino-2-oxoethyl)carbamoylamino]-4-methylpentanoic acid.

Molecular Properties

Compound Name5-[bis(2-amino-2-oxoethyl)carbamoylamino]-4-methylpentanoic acid
PubChem CID82013638
Molecular FormulaC11H20N4O5
Molecular Weight288.30 g/mol
Exact Mass288.14
IUPAC Name5-[bis(2-amino-2-oxoethyl)carbamoylamino]-4-methylpentanoic acid
SMILESCC(CCC(=O)O)CNC(=O)N(CC(N)=O)CC(N)=O
InChIInChI=1S/C11H20N4O5/c1-7(2-3-10(18)19)4-14-11(20)15(5-8(12)16)6-9(13)17/h7H,2-6H2,1H3,(H2,12,16)(H2,13,17)(H,14,20)(H,18,19)
InChIKeyYQXKBOGZPDANMF-UHFFFAOYSA-N
XLogP-1.53
TPSA155.82 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 5-1.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

5-(diethylcarbamoylamino)-4-methylpentanoic acid
CID 82684112
5-[[[2-(dimethylamino)-2-oxoethyl]-ethylcarbamoyl]amino]-4-methylpentanoic acid
CID 82689316
5-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-4-methylpentanoic acid
CID 82687737
4-[2-[[(2-amino-2-oxoethyl)-ethylcarbamoyl]amino]ethyl]-5-methylhexanoic acid
CID 103103551
3-[bis(2-amino-2-oxoethyl)carbamoylamino]-2-methoxypropanoic acid
CID 114144690
3-[[(2-amino-2-oxoethyl)-ethylcarbamoyl]amino]-2-methylpropanoic acid
CID 103103591
4-methyl-5-[[methyl(prop-2-ynyl)carbamoyl]amino]pentanoic acid
CID 82014438
5-[[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]amino]-4-methylpentanoic acid
CID 82013804
4-methyl-5-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]pentanoic acid
CID 82688124
5-(methoxycarbonylamino)-4-methylpentanoic acid
CID 82017023
5-[[(2R)-2-amino-3-methylbutanoyl]amino]-4-methylpentanoic acid
CID 82688347
3-[[(2-amino-2-oxoethyl)-(2-methylpropyl)carbamoyl]amino]-2-methylpropanoic acid
CID 62670819

Frequently Asked Questions

What is the IUPAC name of 5-[bis(2-amino-2-oxoethyl)carbamoylamino]-4-methylpentanoic acid?
The IUPAC name of 5-[bis(2-amino-2-oxoethyl)carbamoylamino]-4-methylpentanoic acid (CID 82013638) is 5-[bis(2-amino-2-oxoethyl)carbamoylamino]-4-methylpentanoic acid.
What is the SMILES notation for 5-[bis(2-amino-2-oxoethyl)carbamoylamino]-4-methylpentanoic acid?
The canonical SMILES for 5-[bis(2-amino-2-oxoethyl)carbamoylamino]-4-methylpentanoic acid is CC(CCC(=O)O)CNC(=O)N(CC(N)=O)CC(N)=O.
What is the InChIKey of 5-[bis(2-amino-2-oxoethyl)carbamoylamino]-4-methylpentanoic acid?
The InChIKey is YQXKBOGZPDANMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O5/c1-7(2-3-10(18)19)4-14-11(20)15(5-8(12)16)6-9(13)17/h7H,2-6H2,1H3,(H2,12,16)(H2,13,17)(H,14,20)(H,18,19).
What are the key properties of 5-[bis(2-amino-2-oxoethyl)carbamoylamino]-4-methylpentanoic acid?
5-[bis(2-amino-2-oxoethyl)carbamoylamino]-4-methylpentanoic acid has a molecular weight of 288.30 g/mol, XLogP of -1.53, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[bis(2-amino-2-oxoethyl)carbamoylamino]-4-methylpentanoic acid is sourced from PubChem (CID 82013638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).