6-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoylamino]-2-methylheptanoic acid

C14H27N3O4 — CID 106097783

IUPAC6-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoylamino]-2-methylheptanoic acid
SMILESCC(CCCC(C)C(=O)O)NC(=O)NC(C)(C)CC(N)=O
InChIInChI=1S/C14H27N3O4/c1-9(12(19)20)6-5-7-10(2)16-13(21)17-14(3,4)8-11(15)18/h9-10H,5-8H2,1-4H3,(H2,15,18)(H,19,20)(H2,16,17,21)
InChIKeyVOIZYLSYTCXDKJ-UHFFFAOYSA-N
MW301.39 g/mol
LogP1.22
Rot. Bonds9

About 6-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoylamino]-2-methylheptanoic acid

6-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoylamino]-2-methylheptanoic acid (PubChem CID 106097783) has the molecular formula C14H27N3O4 and a molecular weight of 301.39 g/mol. Its IUPAC name is 6-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoylamino]-2-methylheptanoic acid.

Molecular Properties

Compound Name6-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoylamino]-2-methylheptanoic acid
PubChem CID106097783
Molecular FormulaC14H27N3O4
Molecular Weight301.39 g/mol
Exact Mass301.20
IUPAC Name6-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoylamino]-2-methylheptanoic acid
SMILESCC(CCCC(C)C(=O)O)NC(=O)NC(C)(C)CC(N)=O
InChIInChI=1S/C14H27N3O4/c1-9(12(19)20)6-5-7-10(2)16-13(21)17-14(3,4)8-11(15)18/h9-10H,5-8H2,1-4H3,(H2,15,18)(H,19,20)(H2,16,17,21)
InChIKeyVOIZYLSYTCXDKJ-UHFFFAOYSA-N
XLogP1.22
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoylamino]hexanoic acid
CID 114143104
3-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoylamino]-2-methylbutanoic acid
CID 106097853
6-(3,3-dimethylbutan-2-ylcarbamoylamino)-2-methylheptanoic acid
CID 104829393
2-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoylamino]-4-methylsulfanylbutanoic acid
CID 106097960
3-methyl-3-(octan-2-ylcarbamoylamino)butanoic acid
CID 64700091
2-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoylamino]-3-methoxypropanoic acid
CID 114143079
6-(3-aminobutanoylamino)-2-methylheptanoic acid
CID 65286233
6-[(4-amino-4-methylpentanoyl)amino]-2-methylheptanoic acid
CID 65286229
3-(tert-butylcarbamoylamino)-3-methylbutanamide
CID 106096156
6-[(4-amino-3-methylbutanoyl)amino]-2-methylheptanoic acid
CID 81080313
5-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoylamino]-4-methylpentanoic acid
CID 114143086
6-[[(2-amino-2-oxoethyl)-ethylcarbamoyl]amino]-2-methylheptanoic acid
CID 103103599

Frequently Asked Questions

What is the IUPAC name of 6-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoylamino]-2-methylheptanoic acid?
The IUPAC name of 6-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoylamino]-2-methylheptanoic acid (CID 106097783) is 6-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoylamino]-2-methylheptanoic acid.
What is the SMILES notation for 6-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoylamino]-2-methylheptanoic acid?
The canonical SMILES for 6-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoylamino]-2-methylheptanoic acid is CC(CCCC(C)C(=O)O)NC(=O)NC(C)(C)CC(N)=O.
What is the InChIKey of 6-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoylamino]-2-methylheptanoic acid?
The InChIKey is VOIZYLSYTCXDKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O4/c1-9(12(19)20)6-5-7-10(2)16-13(21)17-14(3,4)8-11(15)18/h9-10H,5-8H2,1-4H3,(H2,15,18)(H,19,20)(H2,16,17,21).
What are the key properties of 6-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoylamino]-2-methylheptanoic acid?
6-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoylamino]-2-methylheptanoic acid has a molecular weight of 301.39 g/mol, XLogP of 1.22, 9 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoylamino]-2-methylheptanoic acid is sourced from PubChem (CID 106097783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).