[5-(2-cyanopropan-2-ylamino)-3-methyl-5-oxopentyl]carbamic acid

C11H19N3O3 — CID 87849076

IUPAC[5-(2-cyanopropan-2-ylamino)-3-methyl-5-oxopentyl]carbamic acid
SMILESCC(CCNC(=O)O)CC(=O)NC(C)(C)C#N
InChIInChI=1S/C11H19N3O3/c1-8(4-5-13-10(16)17)6-9(15)14-11(2,3)7-12/h8,13H,4-6H2,1-3H3,(H,14,15)(H,16,17)
InChIKeyPPPOYFDNZXIGJT-UHFFFAOYSA-N
MW241.29 g/mol
LogP1.09
Rot. Bonds6

About [5-(2-cyanopropan-2-ylamino)-3-methyl-5-oxopentyl]carbamic acid

[5-(2-cyanopropan-2-ylamino)-3-methyl-5-oxopentyl]carbamic acid (PubChem CID 87849076) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is [5-(2-cyanopropan-2-ylamino)-3-methyl-5-oxopentyl]carbamic acid.

Molecular Properties

Compound Name[5-(2-cyanopropan-2-ylamino)-3-methyl-5-oxopentyl]carbamic acid
PubChem CID87849076
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Name[5-(2-cyanopropan-2-ylamino)-3-methyl-5-oxopentyl]carbamic acid
SMILESCC(CCNC(=O)O)CC(=O)NC(C)(C)C#N
InChIInChI=1S/C11H19N3O3/c1-8(4-5-13-10(16)17)6-9(15)14-11(2,3)7-12/h8,13H,4-6H2,1-3H3,(H,14,15)(H,16,17)
InChIKeyPPPOYFDNZXIGJT-UHFFFAOYSA-N
XLogP1.09
TPSA102.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-(2-cyanopropan-2-ylamino)-3-methyl-5-oxopentyl]carbamic acid?
The IUPAC name of [5-(2-cyanopropan-2-ylamino)-3-methyl-5-oxopentyl]carbamic acid (CID 87849076) is [5-(2-cyanopropan-2-ylamino)-3-methyl-5-oxopentyl]carbamic acid.
What is the SMILES notation for [5-(2-cyanopropan-2-ylamino)-3-methyl-5-oxopentyl]carbamic acid?
The canonical SMILES for [5-(2-cyanopropan-2-ylamino)-3-methyl-5-oxopentyl]carbamic acid is CC(CCNC(=O)O)CC(=O)NC(C)(C)C#N.
What is the InChIKey of [5-(2-cyanopropan-2-ylamino)-3-methyl-5-oxopentyl]carbamic acid?
The InChIKey is PPPOYFDNZXIGJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3/c1-8(4-5-13-10(16)17)6-9(15)14-11(2,3)7-12/h8,13H,4-6H2,1-3H3,(H,14,15)(H,16,17).
What are the key properties of [5-(2-cyanopropan-2-ylamino)-3-methyl-5-oxopentyl]carbamic acid?
[5-(2-cyanopropan-2-ylamino)-3-methyl-5-oxopentyl]carbamic acid has a molecular weight of 241.29 g/mol, XLogP of 1.09, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-cyanopropan-2-ylamino)-3-methyl-5-oxopentyl]carbamic acid is sourced from PubChem (CID 87849076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).