4-[[ethyl(propyl)carbamoyl]amino]-4-methylpentanoic acid

C12H24N2O3 — CID 62048521

IUPAC4-[[ethyl(propyl)carbamoyl]amino]-4-methylpentanoic acid
SMILESCCCN(CC)C(=O)NC(C)(C)CCC(=O)O
InChIInChI=1S/C12H24N2O3/c1-5-9-14(6-2)11(17)13-12(3,4)8-7-10(15)16/h5-9H2,1-4H3,(H,13,17)(H,15,16)
InChIKeyRMYVQDQWICYRLJ-UHFFFAOYSA-N
MW244.33 g/mol
LogP2.07
Rot. Bonds7

About 4-[[ethyl(propyl)carbamoyl]amino]-4-methylpentanoic acid

4-[[ethyl(propyl)carbamoyl]amino]-4-methylpentanoic acid (PubChem CID 62048521) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 4-[[ethyl(propyl)carbamoyl]amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name4-[[ethyl(propyl)carbamoyl]amino]-4-methylpentanoic acid
PubChem CID62048521
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name4-[[ethyl(propyl)carbamoyl]amino]-4-methylpentanoic acid
SMILESCCCN(CC)C(=O)NC(C)(C)CCC(=O)O
InChIInChI=1S/C12H24N2O3/c1-5-9-14(6-2)11(17)13-12(3,4)8-7-10(15)16/h5-9H2,1-4H3,(H,13,17)(H,15,16)
InChIKeyRMYVQDQWICYRLJ-UHFFFAOYSA-N
XLogP2.07
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[2-ethoxyethyl(ethyl)carbamoyl]amino]-4-methylpentanoic acid
CID 63690077
4-methyl-4-[[propan-2-yl(propyl)carbamoyl]amino]pentanoic acid
CID 62048697
4-[bis(2-amino-2-oxoethyl)carbamoylamino]-4-methylpentanoic acid
CID 62921763
4-[bis(2-methylpropyl)carbamoylamino]-4-methylpentanoic acid
CID 62049660
4-[[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-4-methylpentanoic acid
CID 107482030
3-[[ethyl(propyl)carbamoyl]amino]-2,2,3-trimethylbutanoic acid
CID 65266331
4-[[2-cyanoethyl(2-methoxyethyl)carbamoyl]amino]-4-methylpentanoic acid
CID 63286688
4-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]-4-methylpentanoic acid
CID 55228127
4-[[2-ethoxyethyl(methyl)carbamoyl]amino]-4-methylpentanoic acid
CID 81057369
2-[[ethyl(propyl)carbamoyl]amino]acetic acid
CID 43445697
4-methyl-4-(propylcarbamoylamino)pentanoic acid
CID 62043521
4-methyl-4-[[methyl(2-methylsulfonylethyl)carbamoyl]amino]pentanoic acid
CID 79864148

Frequently Asked Questions

What is the IUPAC name of 4-[[ethyl(propyl)carbamoyl]amino]-4-methylpentanoic acid?
The IUPAC name of 4-[[ethyl(propyl)carbamoyl]amino]-4-methylpentanoic acid (CID 62048521) is 4-[[ethyl(propyl)carbamoyl]amino]-4-methylpentanoic acid.
What is the SMILES notation for 4-[[ethyl(propyl)carbamoyl]amino]-4-methylpentanoic acid?
The canonical SMILES for 4-[[ethyl(propyl)carbamoyl]amino]-4-methylpentanoic acid is CCCN(CC)C(=O)NC(C)(C)CCC(=O)O.
What is the InChIKey of 4-[[ethyl(propyl)carbamoyl]amino]-4-methylpentanoic acid?
The InChIKey is RMYVQDQWICYRLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-5-9-14(6-2)11(17)13-12(3,4)8-7-10(15)16/h5-9H2,1-4H3,(H,13,17)(H,15,16).
What are the key properties of 4-[[ethyl(propyl)carbamoyl]amino]-4-methylpentanoic acid?
4-[[ethyl(propyl)carbamoyl]amino]-4-methylpentanoic acid has a molecular weight of 244.33 g/mol, XLogP of 2.07, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[ethyl(propyl)carbamoyl]amino]-4-methylpentanoic acid is sourced from PubChem (CID 62048521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).