4-(ethylcarbamoylamino)-4-methylpentanoic acid

C9H18N2O3 — CID 62043316

IUPAC4-(ethylcarbamoylamino)-4-methylpentanoic acid
SMILESCCNC(=O)NC(C)(C)CCC(=O)O
InChIInChI=1S/C9H18N2O3/c1-4-10-8(14)11-9(2,3)6-5-7(12)13/h4-6H2,1-3H3,(H,12,13)(H2,10,11,14)
InChIKeyBFFZDNFGQHYGBX-UHFFFAOYSA-N
MW202.25 g/mol
LogP0.95
Rot. Bonds5

About 4-(ethylcarbamoylamino)-4-methylpentanoic acid

4-(ethylcarbamoylamino)-4-methylpentanoic acid (PubChem CID 62043316) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is 4-(ethylcarbamoylamino)-4-methylpentanoic acid.

Molecular Properties

Compound Name4-(ethylcarbamoylamino)-4-methylpentanoic acid
PubChem CID62043316
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Name4-(ethylcarbamoylamino)-4-methylpentanoic acid
SMILESCCNC(=O)NC(C)(C)CCC(=O)O
InChIInChI=1S/C9H18N2O3/c1-4-10-8(14)11-9(2,3)6-5-7(12)13/h4-6H2,1-3H3,(H,12,13)(H2,10,11,14)
InChIKeyBFFZDNFGQHYGBX-UHFFFAOYSA-N
XLogP0.95
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(ethylcarbamoylamino)-4-methylpentanoic acid?
The IUPAC name of 4-(ethylcarbamoylamino)-4-methylpentanoic acid (CID 62043316) is 4-(ethylcarbamoylamino)-4-methylpentanoic acid.
What is the SMILES notation for 4-(ethylcarbamoylamino)-4-methylpentanoic acid?
The canonical SMILES for 4-(ethylcarbamoylamino)-4-methylpentanoic acid is CCNC(=O)NC(C)(C)CCC(=O)O.
What is the InChIKey of 4-(ethylcarbamoylamino)-4-methylpentanoic acid?
The InChIKey is BFFZDNFGQHYGBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-4-10-8(14)11-9(2,3)6-5-7(12)13/h4-6H2,1-3H3,(H,12,13)(H2,10,11,14).
What are the key properties of 4-(ethylcarbamoylamino)-4-methylpentanoic acid?
4-(ethylcarbamoylamino)-4-methylpentanoic acid has a molecular weight of 202.25 g/mol, XLogP of 0.95, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylcarbamoylamino)-4-methylpentanoic acid is sourced from PubChem (CID 62043316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).