propyl 2-[[3-methyl-2-(propoxycarbonylamino)pentanoyl]amino]acetate

C15H28N2O5 — CID 91726073

IUPACpropyl 2-[[3-methyl-2-(propoxycarbonylamino)pentanoyl]amino]acetate
SMILESCCCOC(=O)CNC(=O)C(NC(=O)OCCC)C(C)CC
InChIInChI=1S/C15H28N2O5/c1-5-8-21-12(18)10-16-14(19)13(11(4)7-3)17-15(20)22-9-6-2/h11,13H,5-10H2,1-4H3,(H,16,19)(H,17,20)
InChIKeyMEAPVBUWQYASMX-UHFFFAOYSA-N
MW316.40 g/mol
LogP1.61
Rot. Bonds10

About propyl 2-[[3-methyl-2-(propoxycarbonylamino)pentanoyl]amino]acetate

propyl 2-[[3-methyl-2-(propoxycarbonylamino)pentanoyl]amino]acetate (PubChem CID 91726073) has the molecular formula C15H28N2O5 and a molecular weight of 316.40 g/mol. Its IUPAC name is propyl 2-[[3-methyl-2-(propoxycarbonylamino)pentanoyl]amino]acetate.

Molecular Properties

Compound Namepropyl 2-[[3-methyl-2-(propoxycarbonylamino)pentanoyl]amino]acetate
PubChem CID91726073
Molecular FormulaC15H28N2O5
Molecular Weight316.40 g/mol
Exact Mass316.20
IUPAC Namepropyl 2-[[3-methyl-2-(propoxycarbonylamino)pentanoyl]amino]acetate
SMILESCCCOC(=O)CNC(=O)C(NC(=O)OCCC)C(C)CC
InChIInChI=1S/C15H28N2O5/c1-5-8-21-12(18)10-16-14(19)13(11(4)7-3)17-15(20)22-9-6-2/h11,13H,5-10H2,1-4H3,(H,16,19)(H,17,20)
InChIKeyMEAPVBUWQYASMX-UHFFFAOYSA-N
XLogP1.61
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-methyl-2-(propoxycarbonylamino)pentanoate
CID 6424721
ethyl 2-[[3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]acetate
CID 12807306
dodecyl 3-methyl-2-(propoxycarbonylamino)pentanoate
CID 6424684
propyl 3-methyl-2-(propoxycarbonylamino)butanoate
CID 6424364
propyl 2-(2-methylpropoxycarbonylamino)acetate
CID 6422792
propyl 2-(2-methoxyethoxycarbonylamino)acetate
CID 91693785
undec-10-enyl (2S)-3-methyl-2-(propoxycarbonylamino)pentanoate
CID 20837345
ethyl 2-(propoxycarbonylamino)acetate
CID 6422290
(2S,3S)-2-(carbamoylamino)-3-methyl-N-propylpentanamide
CID 95262479
tert-butyl N-[1-(butylamino)-3-methyl-1-oxopentan-2-yl]carbamate
CID 89203370
benzyl 2-[[(2S,3S)-2-(carbamoylamino)-3-methylpentanoyl]amino]acetate
CID 7613315
benzyl 2-[[(2S,3R)-2-(carbamoylamino)-3-methylpentanoyl]amino]acetate
CID 51648070

Frequently Asked Questions

What is the IUPAC name of propyl 2-[[3-methyl-2-(propoxycarbonylamino)pentanoyl]amino]acetate?
The IUPAC name of propyl 2-[[3-methyl-2-(propoxycarbonylamino)pentanoyl]amino]acetate (CID 91726073) is propyl 2-[[3-methyl-2-(propoxycarbonylamino)pentanoyl]amino]acetate.
What is the SMILES notation for propyl 2-[[3-methyl-2-(propoxycarbonylamino)pentanoyl]amino]acetate?
The canonical SMILES for propyl 2-[[3-methyl-2-(propoxycarbonylamino)pentanoyl]amino]acetate is CCCOC(=O)CNC(=O)C(NC(=O)OCCC)C(C)CC.
What is the InChIKey of propyl 2-[[3-methyl-2-(propoxycarbonylamino)pentanoyl]amino]acetate?
The InChIKey is MEAPVBUWQYASMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O5/c1-5-8-21-12(18)10-16-14(19)13(11(4)7-3)17-15(20)22-9-6-2/h11,13H,5-10H2,1-4H3,(H,16,19)(H,17,20).
What are the key properties of propyl 2-[[3-methyl-2-(propoxycarbonylamino)pentanoyl]amino]acetate?
propyl 2-[[3-methyl-2-(propoxycarbonylamino)pentanoyl]amino]acetate has a molecular weight of 316.40 g/mol, XLogP of 1.61, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-[[3-methyl-2-(propoxycarbonylamino)pentanoyl]amino]acetate is sourced from PubChem (CID 91726073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).